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Acetic acid 1-(3-phenylpropyl)allyl ester

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

Acetic acid 1-(3-phenylpropyl)allyl ester
SpectraBase Compound ID CMjzF5mpLvP
InChI InChI=1S/C14H18O2/c1-3-14(16-12(2)15)11-7-10-13-8-5-4-6-9-13/h3-6,8-9,14H,1,7,10-11H2,2H3
InChIKey LDANTXUPYSJFCF-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 CpCUMJAdYWz
Name Acetic acid 1-(3-phenylpropyl)allyl 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/c1-3-14(16-12(2)15)11-7-10-13-8-5-4-6-9-13/h3-6,8-9,14H,1,7,10-11H2,2H3
InChIKey LDANTXUPYSJFCF-UHFFFAOYSA-N
Molecular Weight 218.296 g/mol
SMILES C(C)(=O)OC(C=C)CCCC=1C=CC=CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.881069