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1H-Imidazole-5-carboxylic acid, 1,2-dimethyl-4-nitro-, (6-bromo-1,3-benzodioxol-5-yl)methyl ester
SpectraBase Compound ID GXbaubOig2V
InChI InChI=1S/C14H12BrN3O6/c1-7-16-13(18(20)21)12(17(7)2)14(19)22-5-8-3-10-11(4-9(8)15)24-6-23-10/h3-4H,5-6H2,1-2H3
InChIKey JTLKEZFDMYIOQC-UHFFFAOYSA-N
Mol Weight 398.17 g/mol
Molecular Formula C14H12BrN3O6
Exact Mass 396.990948 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4ZvmytG6Wu
Name 1H-Imidazole-5-carboxylic acid, 1,2-dimethyl-4-nitro-, (6-bromo-1,3-benzodioxol-5-yl)methyl ester
Alternate Name(s) 2,3-Dimethyl-5-nitro-4-imidazolecarboxylic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester (6-bromo-1,3-benzodioxol-5-yl)methyl 2,3-dimethyl-5-nitroimidazole-4-carboxylate (6-bromo-1,3-benzodioxol-5-yl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2,3-dimethyl-5-nitro-imidazole-4-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H12BrN3O6
InChI InChI=1S/C14H12BrN3O6/c1-7-16-13(18(20)21)12(17(7)2)14(19)22-5-8-3-10-11(4-9(8)15)24-6-23-10/h3-4H,5-6H2,1-2H3
InChIKey JTLKEZFDMYIOQC-UHFFFAOYSA-N
Molecular Weight 398.169 g/mol
SMILES c1([n](c(C(OCc2c(cc3c(c2)OCO3)Br)=O)c(N(=O)=O)n1)C)C
SPLASH splash10-02vi-9550000000-70b11f88ec33f3c4f38a
Source of Spectrum IY-1-4530-7
Wiley ID 1653290