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2-(2-Nitro-1-phenylethyl)octanenitrile

View entire compound with spectra: 1 MS (GC)

2-(2-Nitro-1-phenylethyl)octanenitrile
SpectraBase Compound ID D4n4KLywoqw
InChI InChI=1S/C16H22N2O2/c1-2-3-4-6-11-15(12-17)16(13-18(19)20)14-9-7-5-8-10-14/h5,7-10,15-16H,2-4,6,11,13H2,1H3
InChIKey MSMWDXHOVCPDLY-UHFFFAOYSA-N
Mol Weight 274.36 g/mol
Molecular Formula C16H22N2O2
Exact Mass 274.168128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JSX4g89kbPO
Name 2-(2-Nitro-1-phenylethyl)octanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H22N2O2
InChI InChI=1S/C16H22N2O2/c1-2-3-4-6-11-15(12-17)16(13-18(19)20)14-9-7-5-8-10-14/h5,7-10,15-16H,2-4,6,11,13H2,1H3
InChIKey MSMWDXHOVCPDLY-UHFFFAOYSA-N
Molecular Weight 274.364 g/mol
SMILES C(N(=O)=O)C(C(C#N)CCCCCC)c1ccccc1
SPLASH splash10-0uec-3900000000-d74f438a33aad438d5b7
Source of Spectrum J-58-597-20
Synonyms 2-(2-nitro-1-phenyl-ethyl)caprylonitrile
Wiley ID 1278322