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Bicyclo[4.2.0]octa-1,3,5-triene-2-carboxylic acid, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Bicyclo[4.2.0]octa-1,3,5-triene-2-carboxylic acid, methyl ester
SpectraBase Compound ID 1Azls1XnHlD
InChI InChI=1S/C10H10O2/c1-12-10(11)9-4-2-3-7-5-6-8(7)9/h2-4H,5-6H2,1H3
InChIKey IEIOFVJWGUMYBI-UHFFFAOYSA-N
Mol Weight 162.19 g/mol
Molecular Formula C10H10O2
Exact Mass 162.06808 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DHTfPX4lqdl
Name Bicyclo[4.2.0]octa-1,3,5-triene-2-carboxylic acid, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 162.068079560 u
Formula C10H10O2
InChI InChI=1S/C10H10O2/c1-12-10(11)9-4-2-3-7-5-6-8(7)9/h2-4H,5-6H2,1H3
InChIKey IEIOFVJWGUMYBI-UHFFFAOYSA-N
Molecular Weight 162.188 g/mol
SMILES C12=C(C(=O)OC)C=CC=C2CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957559