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N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-L-Norvaline
CAS: 252049-05-1 | C21H23NO4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
252049-05-1
Molecular Formula:
C21H23NO4
Molecular Mass:
353.42 g/mol
Names and Synonyms:
N-[(9H-Fluoren-9-Ylmethoxy)Carbonyl]-N-Methyl-L-Norvaline
L-Norvaline, N-[(9H-fluoren-9-ylmethoxy)carbonyl]-N-methyl-
N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline
Identifiers:
SMILES:
CCC[C@@H](C(=O)O)N(C)C(=O)OCC1c2ccccc2-c2ccccc21
InChI:
InChI=1S/C21H23NO4/c1-3-8-19(20(23)24)22(2)21(25)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h4-7,9-12,18-19H,3,8,13H2,1-2H3,(H,23,24)/t19-/m0/s1
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 353.42 g/mol | CAS Common Chemistry |
| 353.41800000000006 g/mol | RDKit | |
| 353.162708216 g/mol | RDKit | |
| Canonical SMILES | O=C(O)C(N(C(=O)OCC1C=2C=CC=CC2C=3C=CC=CC31)C)CCC | CAS Common Chemistry |
| InChI | InChI=1S/C21H23NO4/c1-3-8-19(20(23)24)22(2)21(25)26-13-18-16-11-6-4-9-14(16)15-10-5-7-12-17(15)18/h4-7,9-12,18-19H,3,8,13H2,1-2H3,(H,23,24)/t19-/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=HKELUUGCKFRJQM-IBGZPJMESA-N | CAS Common Chemistry |
| Name | N-[(9H-Fluoren-9-ylmethoxy)carbonyl]-N-methyl-L-norvaline | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 66.84 Ų | RDKit |
| LogP | 4.120600000000003 | RDKit |
| Molar Refractivity | 99.16380000000004 | RDKit |
