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(S)-5-acetyl-6-methyl-4-phenyl-3,4-dihydro-2H-pyran-2-one

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

(S)-5-acetyl-6-methyl-4-phenyl-3,4-dihydro-2H-pyran-2-one
SpectraBase Compound ID 9CMWFNytTue
InChI InChI=1S/C14H14O3/c1-9(15)14-10(2)17-13(16)8-12(14)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3/t12-/m0/s1
InChIKey JMXQUPQFZWVNAP-LBPRGKRZSA-N
Mol Weight 230.26 g/mol
Molecular Formula C14H14O3
Exact Mass 230.094294 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 4Wgxefla9wL
Name (S)-5-Acetyl-6-methyl-4-phenyl-3,4-dihydro-2H-pyran-2-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 230.094294308 u
Formula C14H14O3
InChI InChI=1S/C14H14O3/c1-9(15)14-10(2)17-13(16)8-12(14)11-6-4-3-5-7-11/h3-7,12H,8H2,1-2H3/t12-/m0/s1
InChIKey JMXQUPQFZWVNAP-LBPRGKRZSA-N
Molecular Weight 230.263 g/mol
SMILES C=1(OC(C[C@](C1C(=O)C)(C1=CC=CC=C1)[H])=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.926243