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Methyl 3-benzylidenecyclobutanecarboxylate

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

Methyl 3-benzylidenecyclobutanecarboxylate
SpectraBase Compound ID 67yXfNJAwmB
InChI InChI=1S/C13H14O2/c1-15-13(14)12-8-11(9-12)7-10-5-3-2-4-6-10/h2-7,12H,8-9H2,1H3/b11-7-
InChIKey BTPBWMVJYPTUFC-XFFZJAGNSA-N
Mol Weight 202.25 g/mol
Molecular Formula C13H14O2
Exact Mass 202.09938 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IYQRLIQ8yFU
Name Methyl 3-benzylidenecyclobutanecarboxylate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 202.099379689 u
Formula C13H14O2
InChI InChI=1S/C13H14O2/c1-15-13(14)12-8-11(9-12)7-10-5-3-2-4-6-10/h2-7,12H,8-9H2,1H3/b11-7-
InChIKey BTPBWMVJYPTUFC-XFFZJAGNSA-N
Molecular Weight 202.253 g/mol
SMILES C1(=CC=2C=CC=CC2)CC(C1)C(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.957052