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1H-1,2,3-Benzotriazole-5-carboxylic acid, 1-(2-phenylethyl)-, ethyl ester

View entire compound with spectra: 1 MS (GC)

1H-1,2,3-Benzotriazole-5-carboxylic acid, 1-(2-phenylethyl)-, ethyl ester
SpectraBase Compound ID KXarwBkNOd5
InChI InChI=1S/C17H17N3O2/c1-2-22-17(21)14-8-9-16-15(12-14)18-19-20(16)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKey NDDFIJMZSWXDDD-UHFFFAOYSA-N
Mol Weight 295.34 g/mol
Molecular Formula C17H17N3O2
Exact Mass 295.132077 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B2YCvKS9sau
Name 1H-1,2,3-Benzotriazole-5-carboxylic acid, 1-(2-phenylethyl)-, ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H17N3O2
InChI InChI=1S/C17H17N3O2/c1-2-22-17(21)14-8-9-16-15(12-14)18-19-20(16)11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3
InChIKey NDDFIJMZSWXDDD-UHFFFAOYSA-N
Molecular Weight 295.342 g/mol
SMILES c1cc(cc2c1[n](nn2)CCc1ccccc1)C(OCC)=O
SPLASH splash10-0ufu-8940000000-27878821078b83f22ee7
Source of Spectrum IY-2-4752-6
Synonyms Ethyl 1-(2-phenylethyl)-1H-1,2,3-benzotriazole-5-carboxylate 1-(2-phenylethyl)-5-benzotriazolecarboxylic acid ethyl ester Ethyl 1-(2-phenylethyl)benzotriazole-5-carboxylate
Wiley ID 1655509