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Dimethyl 1-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate
SpectraBase Compound ID 4rVmJOVrMJ4
InChI InChI=1S/C13H13N3O4/c1-19-12(17)10-11(13(18)20-2)16(15-14-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey VJJJUFPCCWACER-UHFFFAOYSA-N
Mol Weight 275.26 g/mol
Molecular Formula C13H13N3O4
Exact Mass 275.090606 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C7BZqDucW8x
Name Dimethyl 1-benzyl-1H-1,2,3-triazole-4,5-dicarboxylate
Alternate Name(s) 1-(Phenylmethyl)triazole-4,5-dicarboxylic acid dimethyl ester Dimethyl 1-benzyltriazole-4,5-dicarboxylate Dimethyl 1-(phenylmethyl)-1,2,3-triazole-4,5-dicarboxylate
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Formula C13H13N3O4
InChI InChI=1S/C13H13N3O4/c1-19-12(17)10-11(13(18)20-2)16(15-14-10)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChIKey VJJJUFPCCWACER-UHFFFAOYSA-N
Literature Reference DOI 10.1080/00397911.2013.850511
Molecular Weight 275.264 g/mol
SMILES c1(nn[n](Cc2ccccc2)c1C(OC)=O)C(OC)=O
SPLASH splash10-0006-9300000000-80cf4bffdf15bdfc2709
Source of Spectrum B1-44-1251/SM5-3j
Wiley ID 1747964