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3-Phenylpropanoic acid, cyclobutyl ester

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

3-Phenylpropanoic acid, cyclobutyl ester
SpectraBase Compound ID LRPtJrzv1Qw
InChI InChI=1S/C13H16O2/c14-13(15-12-7-4-8-12)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey FBICQSJUVBTNRV-UHFFFAOYSA-N
Mol Weight 204.27 g/mol
Molecular Formula C13H16O2
Exact Mass 204.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HqTAlCBcDq2
Name 3-Phenylpropanoic acid, cyclobutyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 204.115029753 u
Formula C13H16O2
InChI InChI=1S/C13H16O2/c14-13(15-12-7-4-8-12)10-9-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey FBICQSJUVBTNRV-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1=CC=C(C=C1)CCC(OC1CCC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.947255