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4-[1'-(PHENYLSULFANYL)-CYCLOHEXYL]-BUTANE-1,4-DIOL
SpectraBase Compound ID 65LLP9Kz4gR
InChI InChI=1S/C16H24O2S/c17-13-7-10-15(18)16(11-5-2-6-12-16)19-14-8-3-1-4-9-14/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2
InChIKey YQXMCMHBZCMKAD-UHFFFAOYSA-N
Mol Weight 280.43 g/mol
Molecular Formula C16H24O2S
Exact Mass 280.149701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HkxjYmgwHvm
Name 4-[1'-(Phenylsulfayl)cyclohexyl]butane-1,4-diol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24O2S
InChI InChI=1S/C16H24O2S/c17-13-7-10-15(18)16(11-5-2-6-12-16)19-14-8-3-1-4-9-14/h1,3-4,8-9,15,17-18H,2,5-7,10-13H2
InChIKey YQXMCMHBZCMKAD-UHFFFAOYSA-N
Molecular Weight 280.426 g/mol
SMILES OC(CCCO)C1(Sc2ccccc2)CCCCC1
SPLASH splash10-001l-3940000000-984f8ee82361f635c20f
Source of Spectrum KC-0-2776-8
Synonyms 4-[1'-(Phenylsulfanyl)cyclohexyl]butane-1,4-diol 1-(1-phenylsulfanylcyclohexyl)butane-1,4-diol
Wiley ID 829110