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3-Methyl-12-( 3'-pyridyl)-dodecanenitrile

View entire compound with spectra: 1 MS (GC)

3-Methyl-12-( 3'-pyridyl)-dodecanenitrile
SpectraBase Compound ID DscbH1Lpt1o
InChI InChI=1S/C18H28N2/c1-17(13-14-19)10-7-5-3-2-4-6-8-11-18-12-9-15-20-16-18/h9,12,15-17H,2-8,10-11,13H2,1H3
InChIKey PSLIHLVLJMNUSC-UHFFFAOYSA-N
Mol Weight 272.44 g/mol
Molecular Formula C18H28N2
Exact Mass 272.225249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LMzTlWvALhb
Name 3-Methyl-12-( 3'-pyridyl)-dodecanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H28N2
InChI InChI=1S/C18H28N2/c1-17(13-14-19)10-7-5-3-2-4-6-8-11-18-12-9-15-20-16-18/h9,12,15-17H,2-8,10-11,13H2,1H3
InChIKey PSLIHLVLJMNUSC-UHFFFAOYSA-N
Molecular Weight 272.436 g/mol
SMILES C(#N)CC(CCCCCCCCCc1cnccc1)C
SPLASH splash10-0a5c-4790000000-f83ce8a7c1dac0c84d89
Source of Spectrum AH-127-95-9
Synonyms 3-Methyl-12-(3-pyridinyl)dodecanenitrile
Wiley ID 1276637