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1-{1-[(4-Methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-ethan-1-one
SpectraBase Compound ID 5rRekwAfYV7
InChI InChI=1S/C12H13N3O/c1-9-3-5-11(6-4-9)7-15-8-12(10(2)16)13-14-15/h3-6,8H,7H2,1-2H3
InChIKey ALHUOFHEWGRDOK-UHFFFAOYSA-N
Mol Weight 215.26 g/mol
Molecular Formula C12H13N3O
Exact Mass 215.105862 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2DIGKEGn1Pr
Name 1-{1-[(4-Methylphenyl)methyl]-1H-1,2,3-triazol-4-yl}-ethan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13N3O
InChI InChI=1S/C12H13N3O/c1-9-3-5-11(6-4-9)7-15-8-12(10(2)16)13-14-15/h3-6,8H,7H2,1-2H3
InChIKey ALHUOFHEWGRDOK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/adsc.201300344
Molecular Weight 215.256 g/mol
SMILES C(C)(=O)c1nn[n](c1)Cc1ccc(cc1)C
SPLASH splash10-0a4i-0900000000-b4db4e5a678841fa0ef5
Source of Spectrum ASC-355-2924-11a
Synonyms 1-(1-(4-methylbenzyl)-1H-1,2,3-triazol-4-yl)ethanone
Wiley ID 1761745