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2-Heptanol, 1-(phenylsulfinyl)-, [S-(R*,S*)]-
SpectraBase Compound ID LrgDSQdpBqA
InChI InChI=1S/C13H20O2S/c1-2-3-5-8-12(14)11-16(15)13-9-6-4-7-10-13/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t12-,16?/m1/s1
InChIKey YPFFKIJIYFZOTK-ZGTOLYCTSA-N
Mol Weight 240.36 g/mol
Molecular Formula C13H20O2S
Exact Mass 240.118401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4gBzpgXTOKZ
Name 2-Heptanol, 1-(phenylsulfinyl)-, [S-(R*,S*)]-
Alternate Name(s) (2R)-1-(phenylsulfinyl)-2-heptanol (RS,SC)-(+)-1-(phenylsulfinyl)heptan-2-ol
CAS Registry Number 69164-54-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H20O2S
InChI InChI=1S/C13H20O2S/c1-2-3-5-8-12(14)11-16(15)13-9-6-4-7-10-13/h4,6-7,9-10,12,14H,2-3,5,8,11H2,1H3/t12-,16?/m1/s1
InChIKey YPFFKIJIYFZOTK-ZGTOLYCTSA-N
Molecular Weight 240.361 g/mol
SMILES O[C@@](C[S@](=O)c1ccccc1)(CCCCC)[H]
SPLASH splash10-004i-3910000000-dc1ac5e29174393f978f
Source of Spectrum B-31-1977-0
Wiley ID 1242814