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1-Benzyl-4-(2-trideuterio-methylphenyl-3,4,5,6-d4)-1H-1,2,3-triazole
SpectraBase Compound ID 946hyyTbFFT
InChI InChI=1S/C16H15N3/c1-13-7-5-6-10-15(13)16-12-19(18-17-16)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3/i1D3,5D,6D,7D,10D
InChIKey KXTIDBJVUXLKOZ-PHCUBDIUSA-N
Mol Weight 256.36 g/mol
Molecular Formula C16H8D7N3
Exact Mass 256.170535 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jq34WwNqzqc
Name 1-Benzyl-4-(2-trideuterio-methylphenyl-3,4,5,6-d4)-1H-1,2,3-triazole
Alternate Name(s) 1-Benzyl-4-(2-(methyl-d3)phenyl-3,4,5,6-d4)-1H-1,2,3-triazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H8D7N3
InChI InChI=1S/C16H15N3/c1-13-7-5-6-10-15(13)16-12-19(18-17-16)11-14-8-3-2-4-9-14/h2-10,12H,11H2,1H3/i1D3,5D,6D,7D,10D
InChIKey KXTIDBJVUXLKOZ-PHCUBDIUSA-N
Literature Reference DOI 10.1002/ajoc.201800182
Molecular Weight 256.360 g/mol
SMILES c1(c(c(c(c(c1[D])[D])[D])[D])-c1nn[n](c1)Cc1ccccc1)C([D])([D])[D]
SPLASH splash10-052o-9980000000-3ba303d2c208439ae6f9
Source of Spectrum AJO-7-SM6-1a_d7
Wiley ID 1812337