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4-[2-Nitro-1-(2-oxocyclohexyl)ethyl]benzonitrile
SpectraBase Compound ID 9tZX8zXfjK4
InChI InChI=1S/C15H16N2O3/c16-9-11-5-7-12(8-6-11)14(10-17(19)20)13-3-1-2-4-15(13)18/h5-8,13-14H,1-4,10H2
InChIKey CTZBRUNXOXMLOI-UHFFFAOYSA-N
Mol Weight 272.3 g/mol
Molecular Formula C15H16N2O3
Exact Mass 272.116092 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID lAxuGjVLu8
Name 4-[2-Nitro-1-(2-oxocyclohexyl)ethyl]benzonitrile
CAS Registry Number 99391-24-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N2O3
InChI InChI=1S/C15H16N2O3/c16-9-11-5-7-12(8-6-11)14(10-17(19)20)13-3-1-2-4-15(13)18/h5-8,13-14H,1-4,10H2
InChIKey CTZBRUNXOXMLOI-UHFFFAOYSA-N
Molecular Weight 272.304 g/mol
SMILES C1CC(C(CC1)=O)C(c1ccc(cc1)C#N)CN(=O)=O
SPLASH splash10-056v-5920000000-5344cb704127187cad25
Synonyms 4-[1-(2-ketocyclohexyl)-2-nitro-ethyl]benzonitrile 4-[2-nitro-1-(2-oxidanylidenecyclohexyl)ethyl]benzenecarbonitrile
Wiley ID 1484698