1-(9H-Fluoren-9-Ylmethyl) 1,3-Azetidinedicarboxylate

CAS: 193693-64-0 | C19H17NO4

Loading 3D structure...

CAS Registry Number: 193693-64-0

Molecular Formula: C19H17NO4

Molecular Mass: 323.35 g/mol

1-(9H-Fluoren-9-Ylmethyl) 1,3-Azetidinedicarboxylate

1,3-Azetidinedicarboxylic acid, 1-(9H-fluoren-9-ylmethyl) ester

1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate

1-Fmoc-Azetidine-3-carboxylicacid

1-[[(9H-Fluoren-9-yl)methoxy]carbonyl]azetidine-3-carboxylic acid

1-Fmoc-Azetidine-3-carboxylic acid

O=C(O)C1CN(C(=O)OCC2c3ccccc3-c3ccccc32)C1

InChI=1S/C19H17NO4/c21-18(22)12-9-20(10-12)19(23)24-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,21,22)

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 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.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	323.35 g/mol	CAS Common Chemistry
	323.34800000000007 g/mol	RDKit
	323.115758024 g/mol	RDKit
Canonical SMILES	O=C(O)C1CN(C(=O)OCC2C=3C=CC=CC3C=4C=CC=CC42)C1	CAS Common Chemistry
InChI	InChI=1S/C19H17NO4/c21-18(22)12-9-20(10-12)19(23)24-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17H,9-11H2,(H,21,22)	CAS Common Chemistry
InChI Key	InChIKey=QDEJCUHGSHSYQH-UHFFFAOYSA-N	CAS Common Chemistry
Name	1-(9H-Fluoren-9-ylmethyl) 1,3-azetidinedicarboxylate	CAS Common Chemistry
Heavy Atom Count	24	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	1	RDKit
Rotatable Bonds	3	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	66.84 Å²	RDKit
LogP	2.951900000000002	RDKit
Molar Refractivity	87.76780000000005	RDKit