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3-Ethyl-2-N-methylanilinoheptanenitrile
SpectraBase Compound ID Ak7oQgYDFhY
InChI InChI=1S/C16H24N2/c1-4-6-10-14(5-2)16(13-17)18(3)15-11-8-7-9-12-15/h7-9,11-12,14,16H,4-6,10H2,1-3H3
InChIKey MIQQKHTWHHOCQR-UHFFFAOYSA-N
Mol Weight 244.38 g/mol
Molecular Formula C16H24N2
Exact Mass 244.193949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LBAT1eg1ls5
Name 3-Ethyl-2-N-methylanilinoheptanenitrile
CAS Registry Number 117909-40-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H24N2
InChI InChI=1S/C16H24N2/c1-4-6-10-14(5-2)16(13-17)18(3)15-11-8-7-9-12-15/h7-9,11-12,14,16H,4-6,10H2,1-3H3
InChIKey MIQQKHTWHHOCQR-UHFFFAOYSA-N
Molecular Weight 244.382 g/mol
SMILES C(N(c1ccccc1)C)(C#N)C(CC)CCCC
SPLASH splash10-0002-2910000000-c3794a7a743d8ca18a4a
Source of Spectrum KC-1988-1947-8
Synonyms 3-Ethyl-2-(methylanilino)heptanenitrile
Wiley ID 1247530