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4-Methylphenyl .beta.-phenylpropionate

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

4-Methylphenyl .beta.-phenylpropionate
SpectraBase Compound ID 2qUCFshfziB
InChI InChI=1S/C16H16O2/c1-13-7-10-15(11-8-13)18-16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3
InChIKey CXBNNSQNNIVMFA-UHFFFAOYSA-N
Mol Weight 240.3 g/mol
Molecular Formula C16H16O2
Exact Mass 240.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID EM6nZllfNFC
Name 4-Methylphenyl .beta.-phenylpropionate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 240.115029753 u
Formula C16H16O2
InChI InChI=1S/C16H16O2/c1-13-7-10-15(11-8-13)18-16(17)12-9-14-5-3-2-4-6-14/h2-8,10-11H,9,12H2,1H3
InChIKey CXBNNSQNNIVMFA-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C1=C(C=CC=C1)CCC(OC1=CC=C(C=C1)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.8946