1,1-Dimethylethyl 2-Oxa-7-Azaspiro[3.5]Nonane-7-Carboxylate

CAS: 240401-27-8 | C12H21NO3

Loading 3D structure...

CAS Registry Number: 240401-27-8

Molecular Formula: C12H21NO3

Molecular Mass: 227.30 g/mol

1,1-Dimethylethyl 2-Oxa-7-Azaspiro[3.5]Nonane-7-Carboxylate

2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid, 1,1-dimethylethyl ester

1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate

2-Oxa-7-azaspiro[3.5]nonane-7-carboxylic acid tert-butyl ester

tert-Butyl 2-oxa-7-azaspiro[3.5]nonan-7-carboxylate

CC(C)(C)OC(=O)N1CCC2(CC1)COC2

InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3

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	227.30 g/mol	CAS Common Chemistry
	227.30399999999992 g/mol	RDKit
	227.152143532 g/mol	RDKit
Canonical SMILES	O=C(OC(C)(C)C)N1CCC2(COC2)CC1	CAS Common Chemistry
InChI	InChI=1S/C12H21NO3/c1-11(2,3)16-10(14)13-6-4-12(5-7-13)8-15-9-12/h4-9H2,1-3H3	CAS Common Chemistry
InChI Key	InChIKey=YVHPBSHIEPPQDC-UHFFFAOYSA-N	CAS Common Chemistry
Name	1,1-Dimethylethyl 2-oxa-7-azaspiro[3.5]nonane-7-carboxylate	CAS Common Chemistry
Heavy Atom Count	16	RDKit
Hydrogen Bond Acceptors	3	RDKit
Hydrogen Bond Donors	0	RDKit
Rotatable Bonds	0	RDKit
Aromatic Ring Count	0	RDKit
Topological Polar Surface Area	38.769999999999996 Å²	RDKit
LogP	2.0339	RDKit
Molar Refractivity	60.29300000000004	RDKit