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2-Benzyl-4-methylphenol, acetate

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

2-Benzyl-4-methylphenol, acetate
SpectraBase Compound ID GHh5O8dxQFB
InChI InChI=1S/C16H16O2/c1-12-8-9-16(18-13(2)17)15(10-12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey KRHSEULRIQRRTB-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 G1gZVXTOYOG
Name 2-Benzyl-4-methylphenol, acetate
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/c1-12-8-9-16(18-13(2)17)15(10-12)11-14-6-4-3-5-7-14/h3-10H,11H2,1-2H3
InChIKey KRHSEULRIQRRTB-UHFFFAOYSA-N
Molecular Weight 240.302 g/mol
SMILES C1(OC(C)=O)=C(C=C(C=C1)C)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.898189