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(Z)-2-thioxo-10-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-[1,2,4]triazolo[1,5-b]isoquinolin-5(10H)-one
SpectraBase Compound ID 16LxO2Zkj2p
InChI InChI=1S/C20H17N3O4S/c1-25-15-9-11(10-16(26-2)17(15)27-3)8-14-12-6-4-5-7-13(12)19(24)23-18(14)21-20(28)22-23/h4-10H,1-3H3,(H,22,28)/b14-8-
InChIKey GMIWFJCXMUSEHQ-ZSOIEALJSA-N
Mol Weight 395.43 g/mol
Molecular Formula C20H17N3O4S
Exact Mass 395.093977 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fr8RwzdkITp
Name (Z)-2-thioxo-10-(3,4,5-trimethoxybenzylidene)-2,3-dihydro-[1,2,4]triazolo[1,5-b]isoquinolin-5(10H)-one
Appearance Yellow crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N3O4S
InChI InChI=1S/C20H17N3O4S/c1-25-15-9-11(10-16(26-2)17(15)27-3)8-14-12-6-4-5-7-13(12)19(24)23-18(14)21-20(28)22-23/h4-10H,1-3H3,(H,22,28)/b14-8-
InChIKey GMIWFJCXMUSEHQ-ZSOIEALJSA-N
Instrument Name Schimadzu-GC-MS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3065
Molecular Weight 395.433 g/mol
SMILES N1C(N=C2N1C(c1c(\C2=C/c2cc(c(c(c2)OC)OC)OC)cccc1)=O)=S
SPLASH splash10-000i-1209000000-7aadc0c7bedc3ca187cc
Source of Spectrum Y-55-473-18
Wiley ID 1879018