For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(syn/anti)-N'-(4-hydroxy-3,5-dimethoxybenzylidene)-1H-pyrazolo[3,4-b]quinoline-1-carbothiohydrazide
SpectraBase Compound ID 52dPTHvYScz
InChI InChI=1S/C20H17N5O3S/c1-27-16-7-12(8-17(28-2)18(16)26)10-21-24-20(29)25-19-14(11-22-25)9-13-5-3-4-6-15(13)23-19/h3-11,26H,1-2H3,(H,24,29)
InChIKey YGGMULUMLBFNGE-UHFFFAOYSA-N
Mol Weight 407.45 g/mol
Molecular Formula C20H17N5O3S
Exact Mass 407.105211 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6uowOxzJO3f
Name (syn/anti)-N'-(4-hydroxy-3,5-dimethoxybenzylidene)-1H-pyrazolo[3,4-b]quinoline-1-carbothiohydrazide
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17N5O3S
InChI InChI=1S/C20H17N5O3S/c1-27-16-7-12(8-17(28-2)18(16)26)10-21-24-20(29)25-19-14(11-22-25)9-13-5-3-4-6-15(13)23-19/h3-11,26H,1-2H3,(H,24,29)
InChIKey YGGMULUMLBFNGE-UHFFFAOYSA-N
Instrument Name Shimadzu QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3850
Molecular Weight 407.448 g/mol
SMILES N(C([n]1ncc2c1nc1ccccc1c2)=S)N=Cc1cc(c(c(c1)OC)O)OC
SPLASH splash10-004i-3009400000-d929a05b4f1a27e42da2
Sample Comments mixture of syn/anti
Source of Spectrum Y-57-1140-11
Wiley ID 1860075