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Methyl N'-[(Z)-(2-nitrophenyl)(oxo)methyl]imidothiocarbamate
SpectraBase Compound ID 99kFCQdhFTg
InChI InChI=1S/C9H9N3O3S/c1-16-9(10)11-8(13)6-4-2-3-5-7(6)12(14)15/h2-5H,1H3,(H2,10,11,13)
InChIKey CEUNETKZMDXPEW-UHFFFAOYSA-N
Mol Weight 239.25 g/mol
Molecular Formula C9H9N3O3S
Exact Mass 239.036462 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75ny19esxhk
Name Methyl N'-[(Z)-(2-nitrophenyl)(oxo)methyl]imidothiocarbamate
Alternate Name(s) Benzamide, 2-nitro-N-(amino)(methylthio)methylydene- Methyl N'-(2-nitrobenzoyl)carbamimidothioate Methyl N'-(2-nitrophenyl)carbonylcarbamimidothioate N'-[(2-nitrophenyl)-oxomethyl]carbamimidothioic acid methyl ester N-[amino(methylsulfanyl)methylene]-2-nitro-benzamide N-[amino-(methylthio)methylene]-2-nitro-benzamide
CAS Registry Number 309923-05-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9N3O3S
InChI InChI=1S/C9H9N3O3S/c1-16-9(10)11-8(13)6-4-2-3-5-7(6)12(14)15/h2-5H,1H3,(H2,10,11,13)
InChIKey CEUNETKZMDXPEW-UHFFFAOYSA-N
Molecular Weight 239.249 g/mol
SMILES N\C(=N\C(c1c(N(=O)=O)cccc1)=O)SC
SPLASH splash10-0udi-7900000000-0e31355136d1245aa2bf
Source of Spectrum AD-0-2532-0
Wiley ID 1433140