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1,1-Tetramethylene-3-(methylthio)-5-hydroxy-1,3-dihydroisobenzofuran
SpectraBase Compound ID EJsYtFPlfN8
InChI InChI=1S/C13H16O2S/c1-16-12-10-8-9(14)4-5-11(10)13(15-12)6-2-3-7-13/h4-5,8,12,14H,2-3,6-7H2,1H3
InChIKey SMDLFEYLVAUMLZ-UHFFFAOYSA-N
Mol Weight 236.33 g/mol
Molecular Formula C13H16O2S
Exact Mass 236.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGEU0yhhheQ
Name 1,1-Tetramethylene-3-(methylthio)-5-hydroxy-1,3-dihydroisobenzofuran
Comments Less than 3 mono-isotopic peaks
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Formula C13H16O2S
InChI InChI=1S/C13H16O2S/c1-16-12-10-8-9(14)4-5-11(10)13(15-12)6-2-3-7-13/h4-5,8,12,14H,2-3,6-7H2,1H3
InChIKey SMDLFEYLVAUMLZ-UHFFFAOYSA-N
Molecular Weight 236.329 g/mol
SMILES Oc1cc2C(OC3(c2cc1)CCCC3)SC
SPLASH splash10-000i-0900000000-1a49a89042e70fdc1b55
Source of Spectrum J-60-6172-11
Synonyms 3-(methylsulfanyl)-3H-spiro[2-benzofuran-1,1'-cyclopentane]-5-ol
Wiley ID 1237994