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2H-1,2,3-Triazole, benzoic acid deriv.
SpectraBase Compound ID Aglr6O09IuN
InChI InChI=1S/C17H15N3O2/c1-12-16(13-6-4-3-5-7-13)19-20(18-12)15-10-8-14(9-11-15)17(21)22-2/h3-11H,1-2H3
InChIKey WILLNRPQUBPXPN-UHFFFAOYSA-N
Mol Weight 293.33 g/mol
Molecular Formula C17H15N3O2
Exact Mass 293.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9yOGKBkVl9P
Name 2H-1,2,3-Triazole, benzoic acid deriv.
CAS Registry Number 100514-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15N3O2
InChI InChI=1S/C17H15N3O2/c1-12-16(13-6-4-3-5-7-13)19-20(18-12)15-10-8-14(9-11-15)17(21)22-2/h3-11H,1-2H3
InChIKey WILLNRPQUBPXPN-UHFFFAOYSA-N
Molecular Weight 293.326 g/mol
SMILES c1(n[n](nc1C)-c1ccc(C(=O)OC)cc1)-c1ccccc1
SPLASH splash10-0006-1090000000-4a928ae525a3322950df
Source of Spectrum K-119-1637-0
Synonyms Benzoic acid, 4-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)-, methyl ester Methyl 4-(4-methyl-5-phenyl-2H-1,2,3-triazol-2-yl)benzoate
Wiley ID 1296371