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Cyclododecanol, 1-methyl-2-(phenylthio)-, (1R*,2S*)-(.+-.)-
SpectraBase Compound ID AogPXwKrmtn
InChI InChI=1S/C19H30OS/c1-19(20)16-12-7-5-3-2-4-6-11-15-18(19)21-17-13-9-8-10-14-17/h8-10,13-14,18,20H,2-7,11-12,15-16H2,1H3/t18-,19+/m0/s1
InChIKey ITNHDNKXTSOOAA-RBUKOAKNSA-N
Mol Weight 306.51 g/mol
Molecular Formula C19H30OS
Exact Mass 306.201737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8XsfXlevpsp
Name Cyclododecanol, 1-methyl-2-(phenylthio)-, (1R*,2S*)-(.+-.)-
CAS Registry Number 125472-15-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H30OS
InChI InChI=1S/C19H30OS/c1-19(20)16-12-7-5-3-2-4-6-11-15-18(19)21-17-13-9-8-10-14-17/h8-10,13-14,18,20H,2-7,11-12,15-16H2,1H3/t18-,19+/m0/s1
InChIKey ITNHDNKXTSOOAA-RBUKOAKNSA-N
Molecular Weight 306.508 g/mol
SMILES O[C@]1([C@@](Sc2ccccc2)(CCCCCCCCCC1)[H])C
SPLASH splash10-08fr-8901000000-faab6b21a1a93b7fb323
Source of Spectrum KC-1989-306-7
Synonyms (1R,2S)-1-methyl-2-(phenylsulfanyl)cyclododecanol (1SR,2RS)-1-Methyl-2-phenylthiocyclododecanol
Wiley ID 1308353