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CAS Number: 54698-60-1
1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid

Structure

 1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Name: 1-benzyl-5-methyl-1H-1,2,3-triazole-4-carboxylic acid
Synonyms:
General Information
Product Number: 54698601

CAS Registry Number 54698-60-1
Name:
1H-?1,?2,?3-?Triazole-?4-?carboxylic acid, 5-?methyl-?1-?(phenylmethyl)?-
5-Methyl-1-(phenylmethyl)-1H-1,2,3-triazole-4-carboxylic acid

 

Chemical Formula: C11H11N3O2
Exact Mass: 217.09
Molecular Weight: 217.22
m/z: 217.09 (100.0%), 218.09 (12.1%), 219.09 (1.2%), 218.08 (1.1%)

 

InChI:InChI=1S/C11H11N3O2/c1-8-10(11(15)16)12-13-14(8)7-9-5-3-2-4-6-9/h2-6H,7H2,1H3,(H,15,16)

InChI Key:WIULYDQJIFTHIK-UHFFFAOYSA-N

Canonical SMILES:CC1=C(N=NN1CC2=CC=CC=C2)C(=O)O

Specification

98%
References

(1) Wang, Gai-Gai; Acta Crystallographica, Section E: Structure Reports Online 2012, V68(2), Po322 CAPLUS
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