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2-Cyano-N-((Z)-1,3-dioxo-4-((E)-3-phenylallylidene)-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
SpectraBase Compound ID hn7XcAy7Ig
InChI InChI=1S/C21H15N3O3/c22-14-13-19(25)23-24-20(26)17-11-5-4-10-16(17)18(21(24)27)12-6-9-15-7-2-1-3-8-15/h1-12H,13H2,(H,23,25)/b9-6+,18-12-
InChIKey GEYZVOMKHXCSOQ-YKYHQJSKSA-N
Mol Weight 357.37 g/mol
Molecular Formula C21H15N3O3
Exact Mass 357.111341 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sN4Aekzal5
Name 2-Cyano-N-((Z)-1,3-dioxo-4-((E)-3-phenylallylidene)-3,4-dihydroisoquinolin-2(1H)-yl)acetamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15N3O3
InChI InChI=1S/C21H15N3O3/c22-14-13-19(25)23-24-20(26)17-11-5-4-10-16(17)18(21(24)27)12-6-9-15-7-2-1-3-8-15/h1-12H,13H2,(H,23,25)/b9-6+,18-12-
InChIKey GEYZVOMKHXCSOQ-YKYHQJSKSA-N
Instrument Name Shimadzu GC??MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3448
Molecular Weight 357.369 g/mol
SMILES N(N1C(\C(c2c(cccc2)C1=O)=C/C=C/c1ccccc1)=O)C(CC#N)=O
SPLASH splash10-0006-9036000000-8c596755daa538a9d05c
Source of Spectrum Y-56-801-9
Wiley ID 1859455