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Carbamimidothioic acid, N-methyl-, (4-nitrophenyl)methyl ester
SpectraBase Compound ID BB9eniwg07P
InChI InChI=1S/C9H11N3O2S/c1-11-9(10)15-6-7-2-4-8(5-3-7)12(13)14/h2-5H,6H2,1H3,(H2,10,11)
InChIKey WBMCRURMXHHJDK-UHFFFAOYSA-N
Mol Weight 225.27 g/mol
Molecular Formula C9H11N3O2S
Exact Mass 225.057198 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GDaWMB3Bc8k
Name Carbamimidothioic acid, N-methyl-, (4-nitrophenyl)methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H11N3O2S
InChI InChI=1S/C9H11N3O2S/c1-11-9(10)15-6-7-2-4-8(5-3-7)12(13)14/h2-5H,6H2,1H3,(H2,10,11)
InChIKey WBMCRURMXHHJDK-UHFFFAOYSA-N
Molecular Weight 225.266 g/mol
SMILES N(C)C(=N)SCc1ccc(cc1)[N+]([O-])=O
SPLASH splash10-052u-9200000000-77d1d5aa2f954d602ad7
Source of Spectrum JX-2015-0-663
Synonyms 4-Nitrobenzyl methylcarbamimidothioate 4-Nitrobenzyl N-methylcarbamimidothioate N'-Methylcarbamimidothioic acid (4-nitrophenyl)methyl ester 3-Methyl-2-[(4-nitrophenyl)methyl]isothiourea (4-Nitrophenyl)methyl N'-methylcarbamimidothioate
Wiley ID 1720574