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 Google Search
Mol Weight	340.38 g/mol
Molecular Formula	C19H20N2O4
Exact Mass	340.142307 g/mol

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SpectraBase Spectrum ID	7KCGtMQWB46
Name	2-Azabicyclo[4.2.0]oct-3-ene-7,8-dicarboxylic acid, 4-cyano-2-(phenylmethyl)-, dimethyl ester
Comments	Computed using SmartSpectra Model v1.42
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	340.142307128 u
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	C(OC)(=O)C1C2C(C1C(OC)=O)CC(=CN2CC1=CC=CC=C1)C#N
Spectrum/Structure Validation Score (Vapor Phase IR)	0.871247