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Benzenepropanoic acid, cyclopentyl ester

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Benzenepropanoic acid, cyclopentyl ester
SpectraBase Compound ID 85zHNTxJyeF
InChI InChI=1S/C14H18O2/c15-14(16-13-8-4-5-9-13)11-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2
InChIKey LIKBOAOJGTZVTE-UHFFFAOYSA-N
Mol Weight 218.3 g/mol
Molecular Formula C14H18O2
Exact Mass 218.13068 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9wKrmWq69wB
Name Benzenepropanoic acid, cyclopentyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 218.130679818 u
Formula C14H18O2
InChI InChI=1S/C14H18O2/c15-14(16-13-8-4-5-9-13)11-10-12-6-2-1-3-7-12/h1-3,6-7,13H,4-5,8-11H2
InChIKey LIKBOAOJGTZVTE-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C1C(CCC1)OC(=O)CCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.902004