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N-[1-(4-methoxybenzoyl)[1,3]thiazolo[4,3-a]isoquinolin-3-yliden]-4-methylbenzamide
SpectraBase Compound ID IKM9fKZLkBt
InChI InChI=1S/C27H20N2O3S/c1-17-7-9-20(10-8-17)26(31)28-27-29-16-15-18-5-3-4-6-22(18)23(29)25(33-27)24(30)19-11-13-21(32-2)14-12-19/h3-16H,1-2H3
InChIKey WHWXHDQJOWZJND-UHFFFAOYSA-N
Mol Weight 452.53 g/mol
Molecular Formula C27H20N2O3S
Exact Mass 452.119464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I32bxWCYXC0
Name N-[1-(4-methoxybenzoyl)[1,3]thiazolo[4,3-a]isoquinolin-3-yliden]-4-methylbenzamide
Appearance Yellow crystals
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Formula C27H20N2O3S
InChI InChI=1S/C27H20N2O3S/c1-17-7-9-20(10-8-17)26(31)28-27-29-16-15-18-5-3-4-6-22(18)23(29)25(33-27)24(30)19-11-13-21(32-2)14-12-19/h3-16H,1-2H3
InChIKey WHWXHDQJOWZJND-UHFFFAOYSA-N
Instrument Name FINNIGAN-MATT 8430
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2711
Molecular Weight 452.528 g/mol
SMILES c1cc2c(cc1)C=1N(C=C2)C(SC1C(=O)c1ccc(cc1)OC)=NC(c1ccc(cc1)C)=O
SPLASH splash10-00n0-7906100000-0344cc101c305204716b
Source of Spectrum Y-54-1345-5g
Wiley ID 1878168