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(3S)-3-hydroxy-4-methyl-1-phenyl-1-pentanone

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

(3S)-3-hydroxy-4-methyl-1-phenyl-1-pentanone
SpectraBase Compound ID 1aeB75lZVbY
InChI InChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-/m0/s1
InChIKey BCGVBUUHOCSGBT-NSHDSACASA-N
Mol Weight 192.26 g/mol
Molecular Formula C12H16O2
Exact Mass 192.11503 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8YJJde3ZmTK
Name (3S)-3-Hydroxy-4-methyl-1-phenyl-1-pentanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 192.115029753 u
Formula C12H16O2
InChI InChI=1S/C12H16O2/c1-9(2)11(13)8-12(14)10-6-4-3-5-7-10/h3-7,9,11,13H,8H2,1-2H3/t11-/m0/s1
InChIKey BCGVBUUHOCSGBT-NSHDSACASA-N
Molecular Weight 192.258 g/mol
SMILES C(C(=O)C1=CC=CC=C1)[C@@](C(C)C)(O)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913848