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2-methyl-3-sulfanylidene-1-isoindolone
SpectraBase Compound ID ApuJOBdVYYu
InChI InChI=1S/C9H7NOS/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey SYXPECVGXMLTHD-UHFFFAOYSA-N
Mol Weight 177.22 g/mol
Molecular Formula C9H7NOS
Exact Mass 177.024835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CE0h8N67i0h
Name 2-methyl-3-sulfanylidene-1-isoindolone
CAS Registry Number 14160-11-3
Comments Less than 3 mono-isotopic peaks
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Formula C9H7NOS
InChI InChI=1S/C9H7NOS/c1-10-8(11)6-4-2-3-5-7(6)9(10)12/h2-5H,1H3
InChIKey SYXPECVGXMLTHD-UHFFFAOYSA-N
Molecular Weight 177.221 g/mol
SMILES C1(N(C(c2ccccc12)=O)C)=S
SPLASH splash10-004i-0900000000-4749a7606e89ac2e0138
Source of Spectrum I-66-1062-5
Synonyms 2-methyl-3-sulfanylidene-isoindol-1-one 2-methyl-3-thioxo-isoindolin-1-one
Wiley ID 1173058