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Naphtho[2,3-c]furan-1,3-dione, 3a,4,5,6,7,8,9,9a-octahydro-4-(methylthio)-
SpectraBase Compound ID BzXfUnpH5bd
InChI InChI=1S/C13H16O3S/c1-17-11-8-5-3-2-4-7(8)6-9-10(11)13(15)16-12(9)14/h9-11H,2-6H2,1H3
InChIKey ALWXTIMMRLHVTK-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C13H16O3S
Exact Mass 252.082016 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID bKJVLJgdJn
Name Naphtho[2,3-c]furan-1,3-dione, 3a,4,5,6,7,8,9,9a-octahydro-4-(methylthio)-
CAS Registry Number 98610-52-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16O3S
InChI InChI=1S/C13H16O3S/c1-17-11-8-5-3-2-4-7(8)6-9-10(11)13(15)16-12(9)14/h9-11H,2-6H2,1H3
InChIKey ALWXTIMMRLHVTK-UHFFFAOYSA-N
Molecular Weight 252.328 g/mol
SMILES C12C(OC(C2CC2=C(C1SC)CCCC2)=O)=O
SPLASH splash10-0fal-3920000000-61247bd63f5ef0d11cba
Source of Spectrum KC-1985-1163-9
Synonyms 3a,4,5,6,7,8,9,9a-octahydro-9-methylthio-1H,3H-naphtho[3,4-b]furan-1,3-dione 4-(methylsulfanyl)-3a,4,5,6,7,8,9,9a-octahydronaphtho[2,3-c]furan-1,3-dione
Wiley ID 1255318