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3-methyl-6-oxidanyl-1,3-benzothiazol-2-one
SpectraBase Compound ID CyS4Ss8HsLv
InChI InChI=1S/C8H7NO2S/c1-9-6-3-2-5(10)4-7(6)12-8(9)11/h2-4,10H,1H3
InChIKey OFRAGDTYBWBHTR-UHFFFAOYSA-N
Mol Weight 181.21 g/mol
Molecular Formula C8H7NO2S
Exact Mass 181.01975 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6scNPO30Xwn
Name 3-methyl-6-oxidanyl-1,3-benzothiazol-2-one
Alternate Name(s) 6-hydroxy-3-methyl-1,3-benzothiazol-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C8H7NO2S
InChI InChI=1S/C8H7NO2S/c1-9-6-3-2-5(10)4-7(6)12-8(9)11/h2-4,10H,1H3
InChIKey OFRAGDTYBWBHTR-UHFFFAOYSA-N
Molecular Weight 181.209 g/mol
SMILES Oc1cc2SC(N(c2cc1)C)=O
SPLASH splash10-001i-0900000000-af2f55cab3aec6901d30
Source of Spectrum AT-32-4848-4
Wiley ID 835963