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1-(2-(1-benzyl-1H-1,2,3-triazol-4-yl)-3-(methyl-d3)phenyl-4,5,6-d3)propan-1-one
SpectraBase Compound ID 2F1ZjJWSa13
InChI InChI=1S/C19H19N3O/c1-3-18(23)16-11-7-8-14(2)19(16)17-13-22(21-20-17)12-15-9-5-4-6-10-15/h4-11,13H,3,12H2,1-2H3/i2D3,7D,8D,11D
InChIKey JYSXTIFAECQHDU-GQFIGACESA-N
Mol Weight 311.42 g/mol
Molecular Formula C19H13D6N3O
Exact Mass 311.190473 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7r6o41CpyYB
Name 1-(2-(1-benzyl-1H-1,2,3-triazol-4-yl)-3-(methyl-d3)phenyl-4,5,6-d3)propan-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H13D6N3O
InChI InChI=1S/C19H19N3O/c1-3-18(23)16-11-7-8-14(2)19(16)17-13-22(21-20-17)12-15-9-5-4-6-10-15/h4-11,13H,3,12H2,1-2H3/i2D3,7D,8D,11D
InChIKey JYSXTIFAECQHDU-GQFIGACESA-N
Literature Reference DOI 10.1002/ajoc.201800182
Molecular Weight 311.418 g/mol
SMILES c1(c(c(c(c(c1[D])[D])[D])C(=O)CC)-c1nn[n](c1)Cc1ccccc1)C([D])([D])[D]
SPLASH splash10-0gw0-1904000000-688099dd788a4119ef0a
Source of Spectrum AJO-7-SM19-2a_d7
Wiley ID 1812341