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2-Undecanol, 1-(phenylsulfonyl)-, (S)-
SpectraBase Compound ID 7a0LIkM3DeG
InChI InChI=1S/C17H28O3S/c1-2-3-4-5-6-7-9-12-16(18)15-21(19,20)17-13-10-8-11-14-17/h8,10-11,13-14,16,18H,2-7,9,12,15H2,1H3/t16-/m0/s1
InChIKey JZQQZENAZJGFHE-INIZCTEOSA-N
Mol Weight 312.47 g/mol
Molecular Formula C17H28O3S
Exact Mass 312.175916 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LF4GmmJj3ie
Name 2-Undecanol, 1-(phenylsulfonyl)-, (S)-
CAS Registry Number 111506-76-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H28O3S
InChI InChI=1S/C17H28O3S/c1-2-3-4-5-6-7-9-12-16(18)15-21(19,20)17-13-10-8-11-14-17/h8,10-11,13-14,16,18H,2-7,9,12,15H2,1H3/t16-/m0/s1
InChIKey JZQQZENAZJGFHE-INIZCTEOSA-N
Molecular Weight 312.468 g/mol
SMILES O[C@](CS(=O)(=O)c1ccccc1)(CCCCCCCCC)[H]
SPLASH splash10-000i-0900000000-a052949a88cabf0989e5
Source of Spectrum KC-1987-1801-1
Synonyms (2S)-1-(phenylsulfonyl)-2-undecanol (2S)-1-phenylsulphonylundecan-2-ol
Wiley ID 1313262