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((E)-2-(4-((E)-benzylidene)-5-oxo-3-phenylthiazolidin-2-ylidene)-2-cyano-N-(naphthalene-1-yl)acetamide)
SpectraBase Compound ID 9XbXvf0uWtz
InChI InChI=1S/C29H19N3O3S/c30-18-24(27(34)31-25-12-6-8-20-7-4-5-11-23(20)25)28-32(21-9-2-1-3-10-21)26(29(35)36-28)17-19-13-15-22(33)16-14-19/h1-17,33H,(H,31,34)/b26-17+,28-24+
InChIKey LDDXADSRTRRPTR-TXPNNLGWSA-N
Mol Weight 489.55 g/mol
Molecular Formula C29H19N3O3S
Exact Mass 489.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3T5rdtfSKlr
Name ((E)-2-cyano-2-(4-((E)-4-hydroxybenzylidene)-5-oxo-3-phenylthiazolidin-2-ylidene)-N-(naphthalen-1-yl)acetamide)
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H19N3O3S
InChI InChI=1S/C29H19N3O3S/c30-18-24(27(34)31-25-12-6-8-20-7-4-5-11-23(20)25)28-32(21-9-2-1-3-10-21)26(29(35)36-28)17-19-13-15-22(33)16-14-19/h1-17,33H,(H,31,34)/b26-17+,28-24+
InChIKey LDDXADSRTRRPTR-TXPNNLGWSA-N
Instrument Name GCMS-QP1000 EX or JEOL JMS600
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2669
Molecular Weight 489.549 g/mol
SMILES N(c1c2ccccc2ccc1)C(\C(=C\1SC(\C(=C/c2ccc(cc2)O)N1c1ccccc1)=O)C#N)=O
SPLASH splash10-0fur-9705100000-a82cc66dad3ee38eefec
Source of Spectrum Y-54-SM9-5b
Wiley ID 1878030