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4H-1,2,4-Triazole-3,5-dicarboxylic acid, 4-(4-bromophenyl)-, dimethyl ester

View entire compound with spectra: 1 MS (GC)

4H-1,2,4-Triazole-3,5-dicarboxylic acid, 4-(4-bromophenyl)-, dimethyl ester
SpectraBase Compound ID LFzfOsc84tE
InChI InChI=1S/C12H10BrN3O4/c1-19-11(17)9-14-15-10(12(18)20-2)16(9)8-5-3-7(13)4-6-8/h3-6H,1-2H3
InChIKey PQUSXFQNGGXMEM-UHFFFAOYSA-N
Mol Weight 340.13 g/mol
Molecular Formula C12H10BrN3O4
Exact Mass 338.985469 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5XYMZ9FBRUz
Name 4H-1,2,4-Triazole-3,5-dicarboxylic acid, 4-(4-bromophenyl)-, dimethyl ester
Alternate Name(s) Dimethyl 4-(4-bromophenyl)-4H-1,2,4-triazole-3,5-dicarboxylate Dimethyl ester of 4-(4-bromphenyl)-1,2,4-triazol-3,5-dicarboxylic acid
CAS Registry Number 81268-38-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10BrN3O4
InChI InChI=1S/C12H10BrN3O4/c1-19-11(17)9-14-15-10(12(18)20-2)16(9)8-5-3-7(13)4-6-8/h3-6H,1-2H3
InChIKey PQUSXFQNGGXMEM-UHFFFAOYSA-N
Molecular Weight 340.133 g/mol
SMILES c1([n](c(nn1)C(=O)OC)-c1ccc(cc1)Br)C(=O)OC
SPLASH splash10-014i-0092000000-cce585a9b2cf64149c65
Source of Spectrum K-115-693-0
Wiley ID 1334296