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Ethyl 5-((3-cyano-7-hydroxy-4-phenyl-4H-chromen-2-yl)imino)-4-(p-tolyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
SpectraBase Compound ID L7dyH66LBxL
InChI InChI=1S/C28H22N4O4S/c1-3-35-27(34)26-31-32(19-11-9-17(2)10-12-19)28(37-26)30-25-22(16-29)24(18-7-5-4-6-8-18)21-14-13-20(33)15-23(21)36-25/h4-15,24,33H,3H2,1-2H3
InChIKey ABJJEVMNCXOFQC-UHFFFAOYSA-N
Mol Weight 510.57 g/mol
Molecular Formula C28H22N4O4S
Exact Mass 510.136176 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29XmaSjQUBw
Name Ethyl 5-((3-cyano-7-hydroxy-4-phenyl-4H-chromen-2-yl)imino)-4-(p-tolyl)-4,5-dihydro-1,3,4-thiadiazole-2-carboxylate
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H22N4O4S
InChI InChI=1S/C28H22N4O4S/c1-3-35-27(34)26-31-32(19-11-9-17(2)10-12-19)28(37-26)30-25-22(16-29)24(18-7-5-4-6-8-18)21-14-13-20(33)15-23(21)36-25/h4-15,24,33H,3H2,1-2H3
InChIKey ABJJEVMNCXOFQC-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2695
Molecular Weight 510.568 g/mol
SMILES Oc1cc2OC(N=C3N(c4ccc(cc4)C)N=C(S3)C(=O)OCC)=C(C(c2cc1)c1ccccc1)C#N
SPLASH splash10-01ti-9622220000-187c1ab1d122874e8bc7
Source of Spectrum Y-54-1223-8e
Wiley ID 1878115