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4-(2-Cyanoethyl)-4-[(6-methyl-3-pyridinyl)carbonyl]heptanedinitrile
SpectraBase Compound ID Knrk6isAToe
InChI InChI=1S/C17H18N4O/c1-14-5-6-15(13-21-14)16(22)17(7-2-10-18,8-3-11-19)9-4-12-20/h5-6,13H,2-4,7-9H2,1H3
InChIKey VUSXKWFWBWPHEV-UHFFFAOYSA-N
Mol Weight 294.36 g/mol
Molecular Formula C17H18N4O
Exact Mass 294.148061 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IykmaqaA9Nt
Name 4-(2-Cyanoethyl)-4-[(6-methyl-3-pyridinyl)carbonyl]heptanedinitrile
Alternate Name(s) 5-(2,2,2-Tri(2-cyanoethyl)acetyl)-2-methylpyridine 4-(2-cyanoethyl)-4-[(6-methyl-3-pyridinyl)-oxomethyl]heptanedinitrile 4-(2-cyanoethyl)-4-(6-methylpyridine-3-carbonyl)heptanedinitrile 4-(2-cyanoethyl)-4-(6-methylpyridin-3-yl)carbonyl-heptanedinitrile
CAS Registry Number 93650-31-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H18N4O
InChI InChI=1S/C17H18N4O/c1-14-5-6-15(13-21-14)16(22)17(7-2-10-18,8-3-11-19)9-4-12-20/h5-6,13H,2-4,7-9H2,1H3
InChIKey VUSXKWFWBWPHEV-UHFFFAOYSA-N
Molecular Weight 294.358 g/mol
SMILES c1(cnc(cc1)C)C(C(CCC#N)(CCC#N)CCC#N)=O
SPLASH splash10-00di-4900000000-37bb3b68559dcd9885a1
Source of Spectrum NP-9-7483-0
Wiley ID 1108347