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2-Pentadecanol, 1-(phenylsulfonyl)-, (S)-
SpectraBase Compound ID 4rxOsgHZJaF
InChI InChI=1S/C21H36O3S/c1-20(22)16-12-9-7-5-3-2-4-6-8-10-15-19-25(23,24)21-17-13-11-14-18-21/h11,13-14,17-18,20,22H,2-10,12,15-16,19H2,1H3/t20-/m0/s1
InChIKey ZEOJPNFCOHVGAF-FQEVSTJZSA-N
Mol Weight 368.6 g/mol
Molecular Formula C21H36O3S
Exact Mass 368.238516 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A9SZv3WtOK0
Name 2-Pentadecanol, 1-(phenylsulfonyl)-, (S)-
Alternate Name(s) (2S)-15-(phenylsulfonyl)-2-pentadecanol (2S)-Phenylsulphonylpentadecan-2-ol
CAS Registry Number 111506-77-5
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H36O3S
InChI InChI=1S/C21H36O3S/c1-20(22)16-12-9-7-5-3-2-4-6-8-10-15-19-25(23,24)21-17-13-11-14-18-21/h11,13-14,17-18,20,22H,2-10,12,15-16,19H2,1H3/t20-/m0/s1
InChIKey ZEOJPNFCOHVGAF-FQEVSTJZSA-N
Molecular Weight 368.576 g/mol
SMILES O[C@](CCCCCCCCCCCCCS(=O)(=O)c1ccccc1)(C)[H]
SPLASH splash10-000i-0900000000-a1b20bccdcfeb9bc9613
Source of Spectrum KC-1987-1801-1
Wiley ID 1353155