| SpectraBase Spectrum ID |
2KZW87V3hDK |
| Name |
Ethyl 1-hexyl-4-hydroxy-2(1H)-oxo-3-quinolinecarboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
317.162708221 u |
| Formula |
C18H23NO4 |
| InChI |
InChI=1S/C18H23NO4/c1-3-5-6-9-12-19-14-11-8-7-10-13(14)16(20)15(17(19)21)18(22)23-4-2/h7-8,10-11,20H,3-6,9,12H2,1-2H3 |
| InChIKey |
GCFJEMAEXQXJRC-UHFFFAOYSA-N |
| Molecular Weight |
317.385 g/mol |
| SMILES |
CCOC(=O)C1=C(C2=C(N(C1=O)CCCCCC)C=CC=C2)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.89057 |
