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1-(perdeuteriobenzyl)-2,4,6-tricyanobenzene

View entire compound with spectra: 1 MS (GC)

1-(perdeuteriobenzyl)-2,4,6-tricyanobenzene
SpectraBase Compound ID LvfVja9ihpo
InChI InChI=1S/C16H9N3/c17-9-13-6-14(10-18)16(15(7-13)11-19)8-12-4-2-1-3-5-12/h1-7H,8H2/i1D,2D,3D,4D,5D,8D2
InChIKey JNNBRIIYMQJMJI-LINRZHOGSA-N
Mol Weight 250.31 g/mol
Molecular Formula C16H22D7N3
Exact Mass 250.123585 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5FzZAAiXr7P
Name 1-(perdeuteriobenzyl)-2,4,6-tricyanobenzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H2D7N3
InChI InChI=1S/C16H9N3/c17-9-13-6-14(10-18)16(15(7-13)11-19)8-12-4-2-1-3-5-12/h1-7H,8H2/i1D,2D,3D,4D,5D,8D2
InChIKey JNNBRIIYMQJMJI-LINRZHOGSA-N
Molecular Weight 250.312 g/mol
SMILES c1(c(C#N)cc(C#N)cc1C#N)C(c1c(c([2D])c(c(c1[2D])[2D])[2D])[2D])([2D])[2D]
SPLASH splash10-0udi-0090000000-e4782bf46dc08531bca2
Source of Spectrum KC-1990-1337-3
Wiley ID 1246227