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1-(Methylthio)-4,5,6,7-tetrahydroisobenzofuran

View entire compound with spectra: 1 MS (GC)

1-(Methylthio)-4,5,6,7-tetrahydroisobenzofuran
SpectraBase Compound ID I8X0vNsaEPP
InChI InChI=1S/C9H12OS/c1-11-9-8-5-3-2-4-7(8)6-10-9/h6H,2-5H2,1H3
InChIKey WOCWOOBANVJPCZ-UHFFFAOYSA-N
Mol Weight 168.25 g/mol
Molecular Formula C9H12OS
Exact Mass 168.060886 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28ii3sNkDGU
Name 1-(Methylthio)-4,5,6,7-tetrahydroisobenzofuran
Alternate Name(s) 1-(methylsulfanyl)-4,5,6,7-tetrahydro-2-benzofuran Methyl 4,5,6,7-tetrahydro-2-benzofuran-1-yl sulfide
CAS Registry Number 91632-66-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H12OS
InChI InChI=1S/C9H12OS/c1-11-9-8-5-3-2-4-7(8)6-10-9/h6H,2-5H2,1H3
InChIKey WOCWOOBANVJPCZ-UHFFFAOYSA-N
Molecular Weight 168.254 g/mol
SMILES c1(c2c(CCCC2)co1)SC
SPLASH splash10-016u-3900000000-53bcb1ab3eec9e481d7d
Source of Spectrum J-49-3822-0
Wiley ID 1164260