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2-{3-[Cyano-(1-methylpyrrolidin-2-ylidene)methyl]-3-methyl-3H-indol-2-yl}-3-phenylacrylonitrile
SpectraBase Compound ID Ch2DiHpv6J4
InChI InChI=1S/C25H22N4/c1-25(21(17-27)23-13-8-14-29(23)2)20-11-6-7-12-22(20)28-24(25)19(16-26)15-18-9-4-3-5-10-18/h3-7,9-12,15H,8,13-14H2,1-2H3/b19-15-,23-21+
InChIKey CDKOEELXNVVVNE-PKMOFYMGSA-N
Mol Weight 378.48 g/mol
Molecular Formula C25H22N4
Exact Mass 378.184447 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EKMd9Fic1dM
Name 2-{3-[Cyano-(1-methylpyrrolidin-2-ylidene)methyl]-3-methyl-3H-indol-2-yl}-3-phenylacrylonitrile
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H22N4
InChI InChI=1S/C25H22N4/c1-25(21(17-27)23-13-8-14-29(23)2)20-11-6-7-12-22(20)28-24(25)19(16-26)15-18-9-4-3-5-10-18/h3-7,9-12,15H,8,13-14H2,1-2H3/b19-15-,23-21+
InChIKey CDKOEELXNVVVNE-PKMOFYMGSA-N
Molecular Weight 378.479 g/mol
SMILES C1(C(=Nc2c1cccc2)\C(=C/c1ccccc1)C#N)(\C(=C/1N(CCC1)C)C#N)C
SPLASH splash10-0a4i-9101000000-0093fe9df11304767c5b
Source of Spectrum QE-3-450-10
Synonyms (2E)-2-{3-[(Z)-cyano(1-methyl-2-pyrrolidinylidene)methyl]-3-methyl-3H-indol-2-yl}-3-phenyl-2-propenenitrile
Wiley ID 842968