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5-CARBOXY-8-[1-(2-PROPENYL)]-THIO-QUINOLINE

View entire compound with spectra: 1 NMR, and 1 MS (GC)

5-CARBOXY-8-[1-(2-PROPENYL)]-THIO-QUINOLINE
SpectraBase Compound ID Ig55xk4w2Nn
InChI InChI=1S/C13H11NO2S/c1-2-8-17-11-6-5-10(13(15)16)9-4-3-7-14-12(9)11/h2-7H,1,8H2,(H,15,16)
InChIKey KVLKABXOJQFELV-UHFFFAOYSA-N
Mol Weight 245.3 g/mol
Molecular Formula C13H11NO2S
Exact Mass 245.05105 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8a8oSUHcWv6
Name 8-(allylthio)quinoline-5-carboxylic acid
Alternate Name(s) 8-(prop-2-enylthio)-5-quinolinecarboxylic acid 8-Allylsulfanylquinoline-5-carboxylic acid 8-Prop-2-enylsulfanylquinoline-5-carboxylic acid
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Formula C13H11NO2S
InChI InChI=1S/C13H11NO2S/c1-2-8-17-11-6-5-10(13(15)16)9-4-3-7-14-12(9)11/h2-7H,1,8H2,(H,15,16)
InChIKey KVLKABXOJQFELV-UHFFFAOYSA-N
Molecular Weight 245.296 g/mol
SMILES OC(c1c2c(nccc2)c(cc1)SCC=C)=O
SPLASH splash10-03di-0490000000-b21a31a512162a176670
Source of Spectrum Y-28-663-13
Wiley ID 1247906