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(5,6-dinitro-1H-benzimidazol-2-yl)methyl imidothiocarbamate
SpectraBase Compound ID HSScMBm98Qr
InChI InChI=1S/C9H8N6O4S/c10-9(11)20-3-8-12-4-1-6(14(16)17)7(15(18)19)2-5(4)13-8/h1-2H,3H2,(H3,10,11)(H,12,13)
InChIKey AMPGITKHLIRBHA-UHFFFAOYSA-N
Mol Weight 296.26 g/mol
Molecular Formula C9H8N6O4S
Exact Mass 296.032774 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F7eAuXKlp3w
Name (5,6-dinitro-1H-benzimidazol-2-yl)methyl imidothiocarbamate
Alternate Name(s) Isothiourea, 2-(5,6-dinitrobenzimidazol-2-yl)methyl-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H8N6O4S
InChI InChI=1S/C9H8N6O4S/c10-9(11)20-3-8-12-4-1-6(14(16)17)7(15(18)19)2-5(4)13-8/h1-2H,3H2,(H3,10,11)(H,12,13)
InChIKey AMPGITKHLIRBHA-UHFFFAOYSA-N
Molecular Weight 296.261 g/mol
SMILES N=C(SCc1nc2cc(c(N(=O)=O)cc2[nH]1)N(=O)=O)N
SPLASH splash10-000l-9100000000-524557fba3688abf93f4
Wiley ID 1450743