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1-Benzyl-1H-1,2,3-triazole-4,5-dicarboxylic acid
SpectraBase Compound ID 88ss9HpkxPo
InChI InChI=1S/C11H9N3O4/c15-10(16)8-9(11(17)18)14(13-12-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
InChIKey IYYBUXUZYWGZGB-UHFFFAOYSA-N
Mol Weight 247.21 g/mol
Molecular Formula C11H9N3O4
Exact Mass 247.059306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1rbbsDjEg5Z
Name 1-Benzyl-1H-1,2,3-triazole-4,5-dicarboxylic acid
CAS Registry Number 73953-89-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H9N3O4
InChI InChI=1S/C11H9N3O4/c15-10(16)8-9(11(17)18)14(13-12-8)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,15,16)(H,17,18)
InChIKey IYYBUXUZYWGZGB-UHFFFAOYSA-N
Molecular Weight 247.210 g/mol
SMILES OC(c1c(C(=O)O)[n](nn1)Cc1ccccc1)=O
SPLASH splash10-0006-9300000000-31c0bed01906b3b91aa0
Source of Spectrum NP-6-9053-0
Synonyms 1-Benzyl-1,2,3-triazol-4,5-dicarboxylic acid 1-Benzyl-1,2,3-triazole-4,5-dicarboxylic acid v-Triazole-4,5-dicarboxylic acid, 1-benzyl- 1-(Phenylmethyl)triazole-4,5-dicarboxylic acid 1-(Phenylmethyl)-1,2,3-triazole-4,5-dicarboxylic acid
Wiley ID 1106122