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2-(2,3,5,6-Tetradeuterio-4-nitrophenyl)-2-phenylpropionitrile
SpectraBase Compound ID B19wzLC8lFE
InChI InChI=1S/C15H12N2O2/c1-15(11-16,12-5-3-2-4-6-12)13-7-9-14(10-8-13)17(18)19/h2-10H,1H3/i7D,8D,9D,10D
InChIKey CCZBAFVGPJASIZ-ULDPCNCHSA-N
Mol Weight 256.3 g/mol
Molecular Formula C15H82D4N2O2
Exact Mass 256.114985 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8UHkqRmmh7B
Name 2-(2,3,5,6-Tetradeuterio-4-nitrophenyl)-2-phenylpropionitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H8D4N2O2
InChI InChI=1S/C15H12N2O2/c1-15(11-16,12-5-3-2-4-6-12)13-7-9-14(10-8-13)17(18)19/h2-10H,1H3/i7D,8D,9D,10D
InChIKey CCZBAFVGPJASIZ-ULDPCNCHSA-N
Molecular Weight 256.297 g/mol
SMILES C(C(C)(c1ccccc1)c1c(c(c(c(c1[2D])[2D])N(=O)=O)[2D])[2D])#N
SPLASH splash10-052g-0490000000-593ce0dc8350cf42f225
Source of Spectrum AT-39-3576-0
Wiley ID 854254