| SpectraBase Spectrum ID |
IaMU4sqX2wV |
| Name |
7-Chloro-1,2-dihydro-1-[2-(ethylthio)ethyl]-4-hydroxy-2-oxo-3-quinolineacetic acid |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.048856869 u |
| Formula |
C15H16ClNO4S |
| InChI |
InChI=1S/C15H16ClNO4S/c1-2-22-6-5-17-12-7-9(16)3-4-10(12)14(20)11(15(17)21)8-13(18)19/h3-4,7,20H,2,5-6,8H2,1H3,(H,18,19) |
| InChIKey |
XQUJFKOFKSKUJE-UHFFFAOYSA-N |
| Molecular Weight |
341.809 g/mol |
| SMILES |
OC=1C=2C=CC(=CC2N(C(C1CC(O)=O)=O)CCSCC)Cl |
| Spectrum/Structure Validation Score (Raman) |
0.791642 |
![7-Chloro-1,2-dihydro-1-[2-(ethylthio)ethyl]-4-hydroxy-2-oxo-3-quinolineacetic acid](/api/spectrum/IaMU4sqX2wV/structure.png?h=300&w=458 "7-Chloro-1,2-dihydro-1-[2-(ethylthio)ethyl]-4-hydroxy-2-oxo-3-quinolineacetic acid")
