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(2S*,3R*)-3-Methyl-2-phenyl-tetrahydrofuran-4-one

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

(2S*,3R*)-3-Methyl-2-phenyl-tetrahydrofuran-4-one
SpectraBase Compound ID 5kw353N5uc8
InChI InChI=1S/C11H12O2/c1-8-10(12)7-13-11(8)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-,11-/m0/s1
InChIKey JBUYPOJYMVZTPB-KWQFWETISA-N
Mol Weight 176.21 g/mol
Molecular Formula C11H12O2
Exact Mass 176.08373 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HDhl5z6YGZx
Name (2S*,3R*)-3-Methyl-2-phenyl-tetrahydrofuran-4-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 176.083729624 u
Formula C11H12O2
InChI InChI=1S/C11H12O2/c1-8-10(12)7-13-11(8)9-5-3-2-4-6-9/h2-6,8,11H,7H2,1H3/t8-,11-/m0/s1
InChIKey JBUYPOJYMVZTPB-KWQFWETISA-N
Molecular Weight 176.215 g/mol
SMILES [C@]1(OCC([C@@]1(C)[H])=O)(C1=CC=CC=C1)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.936126