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7-Mercaptophthalide

View entire compound with spectra: 1 MS (GC)

7-Mercaptophthalide
SpectraBase Compound ID JbC8BcXrHe
InChI InChI=1S/C8H6O2S/c9-8-7-5(4-10-8)2-1-3-6(7)11/h1-3,11H,4H2
InChIKey BXTTWAWZERSZNI-UHFFFAOYSA-N
Mol Weight 166.19 g/mol
Molecular Formula C8H6O2S
Exact Mass 166.008851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VcqdY99I1m
Name 7-Mercaptophthalide
Alternate Name(s) 7-Mercapto-3H-isobenzofuran-1-one 7-sulfanyl-3H-2-benzofuran-1-one 7-sulfanyl-3H-isobenzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H6O2S
InChI InChI=1S/C8H6O2S/c9-8-7-5(4-10-8)2-1-3-6(7)11/h1-3,11H,4H2
InChIKey BXTTWAWZERSZNI-UHFFFAOYSA-N
Molecular Weight 166.194 g/mol
SMILES Sc1c2C(OCc2ccc1)=O
SPLASH splash10-014r-0900000000-7b2af659c89b9c14962c
Source of Spectrum KC-0-159-30
Wiley ID 780431