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Cyclopropanecarboxylic acid, 3-phenylpropyl ester

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

Cyclopropanecarboxylic acid, 3-phenylpropyl ester
SpectraBase Compound ID Dj5MBgxO0s4
InChI InChI=1S/C13H16O2/c14-13(12-8-9-12)15-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey SCFCHTOLDOZIRC-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 CCMaRQxhz9s
Name Cyclopropanecarboxylic acid, 3-phenylpropyl 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(12-8-9-12)15-10-4-7-11-5-2-1-3-6-11/h1-3,5-6,12H,4,7-10H2
InChIKey SCFCHTOLDOZIRC-UHFFFAOYSA-N
Molecular Weight 204.269 g/mol
SMILES C1=C(C=CC=C1)CCCOC(C1CC1)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.960121