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

*Links on SpectraBase are not permalinks.
Ethyl 4-thioxoquinoline-1-acetate
SpectraBase Compound ID 634ZPHpRKyn
InChI InChI=1S/C13H13NO2S/c1-2-16-13(15)9-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8H,2,9H2,1H3
InChIKey ZUVCKUQADDYSTJ-UHFFFAOYSA-N
Mol Weight 247.31 g/mol
Molecular Formula C13H13NO2S
Exact Mass 247.0667 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 mqFVKElOc1
Name Ethyl 4-thioxoquinoline-1-acetate
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 875181 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H13NO2S
InChI InChI=1S/C13H13NO2S/c1-2-16-13(15)9-14-8-7-12(17)10-5-3-4-6-11(10)14/h3-8H,2,9H2,1H3
InChIKey ZUVCKUQADDYSTJ-UHFFFAOYSA-N
Molecular Weight 247.312 g/mol
SMILES c12N(C=CC(c2cccc1)=S)CC(=O)OCC
SPLASH splash10-00dj-1790000000-545afc7994249abb168a
Source of Spectrum SO-0-101-6
Synonyms Ethyl (4-thioxo-1(4H)-quinolinyl)acetate
Wiley ID 1821200