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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)

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SpectraBase Spectrum ID EGugV9HBhOG
Name Ethyl 4-thioxoquinoline-1-acetate
Comments Removed - expert review: contamination (CH2Cl2); A corrected record has been addded having SpectrumID: 1821200
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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 splash10-000t-9110000000-be47e98a5d5552d9aa99
Source of Spectrum SO-0-101-6
Synonyms ethyl (4-thioxo-1(4H)-quinolinyl)acetate
Wiley ID 875181