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(Z)-5-(4-((1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy)-3-methoxybenzylidene)-2-((4-chlorophenyl)amino)thiazol-4(5H)-one
SpectraBase Compound ID BaZOAyYRKDV
InChI InChI=1S/C27H22ClN5O3S/c1-35-24-13-19(14-25-26(34)30-27(37-25)29-21-10-8-20(28)9-11-21)7-12-23(24)36-17-22-16-33(32-31-22)15-18-5-3-2-4-6-18/h2-14,16H,15,17H2,1H3,(H,29,30,34)/b25-14-
InChIKey FLABDMQTXJLSJX-QFEZKATASA-N
Mol Weight 532.02 g/mol
Molecular Formula C27H22ClN5O3S
Exact Mass 531.113188 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3QNKF4tmGu
Name (Z)-5-(4-((1-Benzyl-1H-1,2,3-triazol-4-yl)methoxy)-3-methoxybenzylidene)-2-((4-chlorophenyl)amino)thiazol-4(5H)-one
Appearance Cream solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H22ClN5O3S
InChI InChI=1S/C27H22ClN5O3S/c1-35-24-13-19(14-25-26(34)30-27(37-25)29-21-10-8-20(28)9-11-21)7-12-23(24)36-17-22-16-33(32-31-22)15-18-5-3-2-4-6-18/h2-14,16H,15,17H2,1H3,(H,29,30,34)/b25-14-
InChIKey FLABDMQTXJLSJX-QFEZKATASA-N
Instrument Name Finnigan-Mat 8430
Ionization Type EI
Literature Reference DOI 10.1002/aoc.5962
Molecular Weight 532.018 g/mol
SMILES N(C=1S\C(=C/c2ccc(OCc3c[n](Cc4ccccc4)nn3)c(c2)OC)C(N1)=O)c1ccc(cc1)Cl
SPLASH splash10-00l6-8900000000-bd688af84b0ab0207930
Source of Spectrum AOC-34-SM53-10k
Wiley ID 1855738