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trans-2-(N-Methylanilino)-2-(prop-2-enylcyclopentyl)acetonitrile
SpectraBase Compound ID 7Shcmpo1afE
InChI InChI=1S/C17H22N2/c1-3-8-14-9-7-12-16(14)17(13-18)19(2)15-10-5-4-6-11-15/h3-6,8,10-11,14,16-17H,7,9,12H2,1-2H3/b8-3+/t14-,16-,17+/m0/s1
InChIKey LEYUQCBMKDLVEE-SADBXSPWSA-N
Mol Weight 254.38 g/mol
Molecular Formula C17H22N2
Exact Mass 254.178299 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3ov9WV0kCei
Name trans-2-(N-Methylanilino)-2-(prop-2-enylcyclopentyl)acetonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C17H22N2
InChI InChI=1S/C17H22N2/c1-3-8-14-9-7-12-16(14)17(13-18)19(2)15-10-5-4-6-11-15/h3-6,8,10-11,14,16-17H,7,9,12H2,1-2H3/b8-3+/t14-,16-,17+/m0/s1
InChIKey LEYUQCBMKDLVEE-SADBXSPWSA-N
Molecular Weight 254.377 g/mol
SMILES [C@@](N(c1ccccc1)C)([C@@]1([C@@](\C=C\C)(CCC1)[H])[H])(C#N)[H]
SPLASH splash10-0002-0910000000-d2162077d2349d42fd83
Source of Spectrum KC-0-884-17
Synonyms cis-2-(N-Methylanilino)-2-(prop-2-enylcyclopentyl)acetonitrile (1-Allylcyclopentyl)(methylanilino)acetonitrile (S)-(Methyl-phenyl-amino)-[(1S,2R)-((E)-2-propenyl)-cyclopentyl]-acetonitrile (2S)-2-[methyl(phenyl)amino]-2-[(1S,2R)-2-[(E)-prop-1-enyl]cyclopentyl]ethanenitrile
Wiley ID 783342