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2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, benzyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylic acid, benzyl ester
SpectraBase Compound ID AZiZZRxY2le
InChI InChI=1S/C13H13NO3/c15-13(14-11-6-7-12(8-11)17-14)16-9-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2
InChIKey MXHWWBNEOOVFRU-UHFFFAOYSA-N
Mol Weight 231.25 g/mol
Molecular Formula C13H13NO3
Exact Mass 231.089543 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 3lcCfJvnFsK
Name 2-OXA-3-AZABICYCLO[2.2.1]HEPT-5-ENE-3-CARBOXYLIC ACID, BENZYL ESTER
Source of Sample G. W. Kirby, University of Glasgow, Glasgow, Scotland
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO3
InChI InChI=1S/C13H13NO3/c15-13(14-11-6-7-12(8-11)17-14)16-9-10-4-2-1-3-5-10/h1-7,11-12H,8-9H2
InChIKey MXHWWBNEOOVFRU-UHFFFAOYSA-N
Literature Reference J. CHEM. SOC., PERKIN TRANS. I, 1985, 1437 Abstract-Chemical Abstracts= 103, 196044E(1985)
Melting Point 33-36C
Molecular Weight 231.251007
Synonyms 2-OXA-3-AZABICYCLO/2.2.1/HEPT-5-ENE- 3-CARBOXYLIC ACID, BENZYL ESTER
Technique FILM (CAST FROM CHCl3)