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Ethyl 4{[2-(benzo[d]thiazol-2-yl)-1-(4-chlorophenyl)-2-cyanoethylidene]amino}benzoate
SpectraBase Compound ID DjOfLrxQiS6
InChI InChI=1S/C25H18ClN3O2S/c1-2-31-25(30)17-9-13-19(14-10-17)28-23(16-7-11-18(26)12-8-16)20(15-27)24-29-21-5-3-4-6-22(21)32-24/h3-14,20H,2H2,1H3
InChIKey ZGWCUEAYYSVKEQ-UHFFFAOYSA-N
Mol Weight 459.95 g/mol
Molecular Formula C25H18ClN3O2S
Exact Mass 459.080826 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7PkjYnPQi7u
Name Ethyl 4{[2-(benzo[d]thiazol-2-yl)-1-(4-chlorophenyl)-2-cyanoethylidene]amino}benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H18ClN3O2S
InChI InChI=1S/C25H18ClN3O2S/c1-2-31-25(30)17-9-13-19(14-10-17)28-23(16-7-11-18(26)12-8-16)20(15-27)24-29-21-5-3-4-6-22(21)32-24/h3-14,20H,2H2,1H3
InChIKey ZGWCUEAYYSVKEQ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS QP 2010 plus or Thermo Scientific ISQ LT
Ionization Type EI
Literature Reference DOI 10.1002/ardp.202100451
Molecular Weight 459.951 g/mol
SMILES c1c2c(ccc1)nc(s2)C(C(=Nc1ccc(cc1)C(=O)OCC)c1ccc(cc1)Cl)C#N
SPLASH splash10-0006-9000000000-03dfaba9c23edb23f02c
Source of Spectrum APC-355-12-3c
Wiley ID 1868744