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2-[(2S,3R)-2-(butylthio)-3-oxanyl]-1-phenylethanone

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

2-[(2S,3R)-2-(butylthio)-3-oxanyl]-1-phenylethanone
SpectraBase Compound ID FYfvoARGsyV
InChI InChI=1S/C17H24O2S/c1-2-3-12-20-17-15(10-7-11-19-17)13-16(18)14-8-5-4-6-9-14/h4-6,8-9,15,17H,2-3,7,10-13H2,1H3/t15-,17+/m1/s1
InChIKey KGUPFAYMDZQRSQ-WBVHZDCISA-N
Mol Weight 292.44 g/mol
Molecular Formula C17H24O2S
Exact Mass 292.149701 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3yw43iRnDHT
Name 2-[(2S,3R)-2-(Butylthio)-3-oxanyl]-1-phenylethanone
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 292.149701185 u
Formula C17H24O2S
InChI InChI=1S/C17H24O2S/c1-2-3-12-20-17-15(10-7-11-19-17)13-16(18)14-8-5-4-6-9-14/h4-6,8-9,15,17H,2-3,7,10-13H2,1H3/t15-,17+/m1/s1
InChIKey KGUPFAYMDZQRSQ-WBVHZDCISA-N
SMILES C(C[C@@]1([C@@](OCCC1)(SCCCC)[H])[H])(=O)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.920543