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Butanal, 2-ethyl-2-methyl-3-(phenylthio)-, (R*,S*)-

View entire compound with spectra: 1 MS (GC)

Butanal, 2-ethyl-2-methyl-3-(phenylthio)-, (R*,S*)-
SpectraBase Compound ID 8r1yM1l5anR
InChI InChI=1S/C13H18OS/c1-4-13(3,10-14)11(2)15-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3/t11-,13+/m1/s1
InChIKey DXLNHVOTZOKMAD-YPMHNXCESA-N
Mol Weight 222.35 g/mol
Molecular Formula C13H18OS
Exact Mass 222.107836 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HQQVPRuImXm
Name Butanal, 2-ethyl-2-methyl-3-(phenylthio)-, (R*,S*)-
CAS Registry Number 90121-95-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18OS
InChI InChI=1S/C13H18OS/c1-4-13(3,10-14)11(2)15-12-8-6-5-7-9-12/h5-11H,4H2,1-3H3/t11-,13+/m1/s1
InChIKey DXLNHVOTZOKMAD-YPMHNXCESA-N
Molecular Weight 222.346 g/mol
SMILES [C@]([C@](Sc1ccccc1)(C)[H])(C=O)(CC)C
SPLASH splash10-03dr-0900000000-c903691b1e79baa377c7
Source of Spectrum KC-1984-122-0
Synonyms (2S,3R)-2-ethyl-2-methyl-3-(phenylsulfanyl)butanal 2-Ethyl-2-methyl-3-phenylthiobutanal
Wiley ID 1222475