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2-Mercapto-2H-1,4-benzoxazin-3(4H)-one
SpectraBase Compound ID HqRGuomXc0n
InChI InChI=1S/C8H7NO2S/c10-7-8(12)11-6-4-2-1-3-5(6)9-7/h1-4,8,12H,(H,9,10)
InChIKey AHFSAYIWRAQRHJ-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 L3Z9p3DJA64
Name 2-Mercapto-2H-1,4-benzoxazin-3(4H)-one
Alternate Name(s) 2-Mercapto-4H-1,4-benzoxazin-3-one 2-sulfanyl-4H-1,4-benzoxazin-3-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7NO2S
InChI InChI=1S/C8H7NO2S/c10-7-8(12)11-6-4-2-1-3-5(6)9-7/h1-4,8,12H,(H,9,10)
InChIKey AHFSAYIWRAQRHJ-UHFFFAOYSA-N
Molecular Weight 181.209 g/mol
SMILES N1c2c(OC(C1=O)S)cccc2
SPLASH splash10-0080-0900000000-2775a33285ea7d51d022
Source of Spectrum Y-33-1625-7
Wiley ID 1177256