For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-cyano-2-(phenylmethyl)-, dimethyl ester
SpectraBase Compound ID 5BfYN0icYcn
InChI InChI=1S/C19H20N2O4/c1-24-18(22)15-14-8-13(9-20)11-21(10-12-6-4-3-5-7-12)17(14)16(15)19(23)25-2/h3-7,11,14-17H,8,10H2,1-2H3
InChIKey FSMNKZTZEMBXSI-UHFFFAOYSA-N
Mol Weight 340.38 g/mol
Molecular Formula C19H20N2O4
Exact Mass 340.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID B2DiCEA2MSG
Name 2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-cyano-2-(phenylmethyl)-, dimethyl ester
CAS Registry Number 39713-20-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20N2O4
InChI InChI=1S/C19H20N2O4/c1-24-18(22)15-14-8-13(9-20)11-21(10-12-6-4-3-5-7-12)17(14)16(15)19(23)25-2/h3-7,11,14-17H,8,10H2,1-2H3
InChIKey FSMNKZTZEMBXSI-UHFFFAOYSA-N
Molecular Weight 340.379 g/mol
SMILES COC(C1C2CC(=CN(Cc3ccccc3)C2C1C(=O)OC)C#N)=O
SPLASH splash10-0002-0900000000-25f3a48018f1fdc5ecd4
Source of Spectrum W5-30255-0-0
Synonyms Dimethyl 2-benzyl-4-cyano-2-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate 3-cyano-5-(phenylmethyl)-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid dimethyl ester 5-Benzyl-3-cyano-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid dimethyl ester Dimethyl 3-cyano-5-(phenylmethyl)-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate Dimethyl 5-benzyl-3-cyano-5-azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylate
Wiley ID 1335165