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(E)-2-Cyano-N-((Z)-1,3-dioxo-4-((E)-3-phenylallylidene)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(thiophen-2-yl)acrylamide
SpectraBase Compound ID 6aGPTcoimru
InChI InChI=1S/C26H17N3O3S/c27-17-19(16-20-11-7-15-33-20)24(30)28-29-25(31)22-13-5-4-12-21(22)23(26(29)32)14-6-10-18-8-2-1-3-9-18/h1-16H,(H,28,30)/b10-6+,19-16+,23-14-
InChIKey XCNQTQJNQFNVPW-UBMVWNKSSA-N
Mol Weight 451.5 g/mol
Molecular Formula C26H17N3O3S
Exact Mass 451.099063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KeELbf0LttV
Name (E)-2-Cyano-N-((Z)-1,3-dioxo-4-((E)-3-phenylallylidene)-3,4-dihydroisoquinolin-2(1H)-yl)-3-(thiophen-2-yl)acrylamide
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H17N3O3S
InChI InChI=1S/C26H17N3O3S/c27-17-19(16-20-11-7-15-33-20)24(30)28-29-25(31)22-13-5-4-12-21(22)23(26(29)32)14-6-10-18-8-2-1-3-9-18/h1-16H,(H,28,30)/b10-6+,19-16+,23-14-
InChIKey XCNQTQJNQFNVPW-UBMVWNKSSA-N
Instrument Name Shimadzu GC??MS
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3448
Molecular Weight 451.500 g/mol
SMILES N(N1C(\C(c2ccccc2C1=O)=C/C=C/c1ccccc1)=O)C(\C(=C\c1sccc1)C#N)=O
SPLASH splash10-004l-0970100000-5acf905a3d3ed0230fc6
Source of Spectrum Y-56-802-10
Wiley ID 1859442