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(R)-4-Benzylsulfanyl-heptan-2-one
SpectraBase Compound ID HG1A5Nai5cP
InChI InChI=1S/C14H20OS/c1-3-7-14(10-12(2)15)16-11-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3/t14-/m1/s1
InChIKey MFAPBEPERXBBPF-CQSZACIVSA-N
Mol Weight 236.37 g/mol
Molecular Formula C14H20OS
Exact Mass 236.123486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I1G2FcioAFb
Name (R)-4-Benzylsulfanyl-heptan-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H20OS
InChI InChI=1S/C14H20OS/c1-3-7-14(10-12(2)15)16-11-13-8-5-4-6-9-13/h4-6,8-9,14H,3,7,10-11H2,1-2H3/t14-/m1/s1
InChIKey MFAPBEPERXBBPF-CQSZACIVSA-N
Literature Reference DOI 10.1021/ol200379r
Molecular Weight 236.373 g/mol
SMILES C([C@](CC(C)=O)(SCc1ccccc1)[H])CC
SPLASH splash10-0006-9200000000-8eebc14160edaeb386cd
Source of Spectrum A1-13-2150/SMS6-11
Synonyms (R)-4-(benzylthio)heptan-2-one
Wiley ID 1753111