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(Z)-3-{5-[(E)-1-Ethoxycarbonyl-2-(5-isothiocyanato-2-methyl-phenyl)-vinyliminomethyleneamino]-2-methyl-phenyl}-2-isothiocyanato-acrylic acidethyl ester
SpectraBase Compound ID 1K1gFNEtA4V
InChI InChI=1S/C27H24N4O4S2/c1-5-34-26(32)24(13-21-12-23(30-16-36)10-8-19(21)4)29-15-28-22-9-7-18(3)20(11-22)14-25(31-17-37)27(33)35-6-2/h7-14H,5-6H2,1-4H3/b24-13+,25-14-
InChIKey BSGIKUGPADOKPD-YVKAKTRNSA-N
Mol Weight 532.63 g/mol
Molecular Formula C27H24N4O4S2
Exact Mass 532.123898 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bSOdKuoliC
Name (Z)-3-{5-[(E)-1-Ethoxycarbonyl-2-(5-isothiocyanato-2-methyl-phenyl)-vinyliminomethyleneamino]-2-methyl-phenyl}-2-isothiocyanato-acrylic acidethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N4O4S2
InChI InChI=1S/C27H24N4O4S2/c1-5-34-26(32)24(13-21-12-23(30-16-36)10-8-19(21)4)29-15-28-22-9-7-18(3)20(11-22)14-25(31-17-37)27(33)35-6-2/h7-14H,5-6H2,1-4H3/b24-13+,25-14-
InChIKey BSGIKUGPADOKPD-YVKAKTRNSA-N
Molecular Weight 532.633 g/mol
SMILES c1(\C=C/(C(=O)OCC)N=C=Nc2cc(\C=C\(C(=O)OCC)N=C=S)c(cc2)C)c(ccc(N=C=S)c1)C
SPLASH splash10-014i-0940010000-41a76cb58c8e7624e8a0
Source of Spectrum J-57-6710-20
Wiley ID 1403569