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Cyclohexanecarboxylic acid, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-1-(phenylthio)-
SpectraBase Compound ID 6ohB4Tn0VCh
InChI InChI=1S/C21H28O4S/c22-19(23)20(26-18-4-2-1-3-5-18)10-6-16(7-11-20)17-8-12-21(13-9-17)24-14-15-25-21/h1-5,16-17H,6-15H2,(H,22,23)
InChIKey QDJOXEOUUKWUHW-UHFFFAOYSA-N
Mol Weight 376.51 g/mol
Molecular Formula C21H28O4S
Exact Mass 376.170831 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KJR9qA5uIV1
Name Cyclohexanecarboxylic acid, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-1-(phenylthio)-
CAS Registry Number 63049-30-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H28O4S
InChI InChI=1S/C21H28O4S/c22-19(23)20(26-18-4-2-1-3-5-18)10-6-16(7-11-20)17-8-12-21(13-9-17)24-14-15-25-21/h1-5,16-17H,6-15H2,(H,22,23)
InChIKey QDJOXEOUUKWUHW-UHFFFAOYSA-N
Molecular Weight 376.511 g/mol
SMILES OC(C1(Sc2ccccc2)CCC(CC1)C1CCC2(CC1)OCCO2)=O
SPLASH splash10-002b-9061000000-2a558eed3798d2eaca72
Source of Spectrum C-99-3108-0
Synonyms 1,4-Dioxaspiro[4.5]decane,yynecarboxylic acid deriv. 4-(1,4-dioxaspiro[4.5]dec-8-yl)-1-(phenylsulfanyl)cyclohexanecarboxylic acid 4-Phenylthio-4-carboxy-4',4'-ethylenedioxy-1,1'-bicyclohexane
Wiley ID 1357735