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5-Methyl-5nitro-2-phenyl-hexanitrile
SpectraBase Compound ID HIKpYrKQs12
InChI InChI=1S/C13H16N2O2/c1-13(2,15(16)17)9-8-12(10-14)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3
InChIKey NITGJGHFKAGNAL-UHFFFAOYSA-N
Mol Weight 232.28 g/mol
Molecular Formula C13H16N2O2
Exact Mass 232.121178 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID v9FL4nfpnk
Name 5-Methyl-5nitro-2-phenyl-hexanitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2
InChI InChI=1S/C13H16N2O2/c1-13(2,15(16)17)9-8-12(10-14)11-6-4-3-5-7-11/h3-7,12H,8-9H2,1-2H3
InChIKey NITGJGHFKAGNAL-UHFFFAOYSA-N
Molecular Weight 232.283 g/mol
SMILES C(N(=O)=O)(CCC(C#N)c1ccccc1)(C)C
SPLASH splash10-014r-4900000000-dfbabbe0b1937c8c641d
Source of Spectrum O-27-741-0
Synonyms 5-Methyl-5-nitro-2-phenylhexanenitrile
Wiley ID 1233833