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Spiro[4H-cycloprop[e]azulene-4,2'-[1,3]dioxolane]-7-carboxylic acid, decahydro-1,1-dimethyl-7-(methylthio)-
SpectraBase Compound ID FRLEf9mEpXJ
InChI InChI=1S/C17H26O4S/c1-15(2)10-5-7-17(20-8-9-21-17)11-4-6-16(22-3,14(18)19)13(11)12(10)15/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKey UDFXXVYLMVOHMQ-UHFFFAOYSA-N
Mol Weight 326.45 g/mol
Molecular Formula C17H26O4S
Exact Mass 326.15518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GhQXUNJaYNR
Name Spiro[4H-cycloprop[e]azulene-4,2'-[1,3]dioxolane]-7-carboxylic acid, decahydro-1,1-dimethyl-7-(methylthio)-
CAS Registry Number 77346-86-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H26O4S
InChI InChI=1S/C17H26O4S/c1-15(2)10-5-7-17(20-8-9-21-17)11-4-6-16(22-3,14(18)19)13(11)12(10)15/h10-13H,4-9H2,1-3H3,(H,18,19)
InChIKey UDFXXVYLMVOHMQ-UHFFFAOYSA-N
Molecular Weight 326.451 g/mol
SMILES OC(C1(C2C3C(C)(C)C3CCC3(C2CC1)OCCO3)SC)=O
SPLASH splash10-002s-9222000000-2af91a252f8124b5cb4d
Source of Spectrum K-114-127-0
Synonyms 3',3'-dimethyl-11'-(methylsulfanyl)spiro[1,3-dioxolane-2,7'-tricyclo[6.3.0.0(2,4)]undecane]-11'-carboxylic acid [1aS-(1a.alpha.,4a.alpha.,7.XI.,7a.beta.,7b.alpha.)]-1,1-dimethyl-7-(methylthio)perhydrospiro[cycloprop[e]azulen-4,2'-(1,3)dioxolan]-7-carboxylic acid [1aS-(1a.alpha.,4a.alpha.,7.XI.,7a.beta.,7b.alpha.)]-1,1-dimethyl-7-(methylthio)perhydrospiro[cycloprop[e]azulen-4,2'-[1,3]dioxolan]-7-carbonic acid
Wiley ID 1324658