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Butyl 5-nitro-1H-benzimidazole-2-carboxylate - 3-Oxide

View entire compound with spectra: 1 MS (GC)

Butyl 5-nitro-1H-benzimidazole-2-carboxylate - 3-Oxide
SpectraBase Compound ID EE8mWQvON1q
InChI InChI=1S/C12H13N3O5/c1-2-3-6-20-12(16)11-13-9-5-4-8(15(18)19)7-10(9)14(11)17/h4-5,7,13H,2-3,6H2,1H3
InChIKey OGZFQOCBJYYZMB-UHFFFAOYSA-N
Mol Weight 279.25 g/mol
Molecular Formula C12H13N3O5
Exact Mass 279.085521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EQ6GSxfK0gZ
Name Butyl 5-nitro-1H-benzimidazole-2-carboxylate - 3-Oxide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O5
InChI InChI=1S/C12H13N3O5/c1-2-3-6-20-12(16)11-13-9-5-4-8(15(18)19)7-10(9)14(11)17/h4-5,7,13H,2-3,6H2,1H3
InChIKey OGZFQOCBJYYZMB-UHFFFAOYSA-N
Molecular Weight 279.252 g/mol
SMILES [nH]1c2c([n+](c1C(=O)OCCCC)[O-])cc(cc2)N(=O)=O
SPLASH splash10-0c00-0090000000-2109f3b192977afa4e06
Source of Spectrum D8-337-268-4
Wiley ID 1551247