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Cyclohexanecarboxylic acid, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-1-(methylthio)-
SpectraBase Compound ID 1SHEZCxH86m
InChI InChI=1S/C16H26O4S/c1-21-15(14(17)18)6-2-12(3-7-15)13-4-8-16(9-5-13)19-10-11-20-16/h12-13H,2-11H2,1H3,(H,17,18)
InChIKey RZHROIYDMITPST-UHFFFAOYSA-N
Mol Weight 314.44 g/mol
Molecular Formula C16H26O4S
Exact Mass 314.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID G6PZxzl7Zkn
Name Cyclohexanecarboxylic acid, 4-(1,4-dioxaspiro[4.5]dec-8-yl)-1-(methylthio)-
CAS Registry Number 62912-29-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H26O4S
InChI InChI=1S/C16H26O4S/c1-21-15(14(17)18)6-2-12(3-7-15)13-4-8-16(9-5-13)19-10-11-20-16/h12-13H,2-11H2,1H3,(H,17,18)
InChIKey RZHROIYDMITPST-UHFFFAOYSA-N
Molecular Weight 314.440 g/mol
SMILES OC(C1(CCC(CC1)C1CCC2(CC1)OCCO2)SC)=O
SPLASH splash10-0002-9200000000-dc1d191bbbee182888c5
Source of Spectrum C-99-3108-0
Synonyms 1,4-Dioxaspiro[4.5]decane, cyclohexanecarboxylic acid deriv. 4-(1,4-dioxaspiro[4.5]dec-8-yl)-1-(methylsulfanyl)cyclohexanecarboxylic acid 4-Methylthio-4-carboxy-4',4'-ethylenedioxy-1,1'-bicyclohexane
Wiley ID 1314896