| SpectraBase Spectrum ID |
6RpHPCc2LGs |
| Name |
6-Hydroxy-7-[9-hydroxy-9-pentyltetradecyl]-2,5,8[1H]-quinolinetrione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
473.314123484 u |
| Formula |
C28H43NO5 |
| InChI |
InChI=1S/C28H43NO5/c1-3-5-12-18-28(34,19-13-6-4-2)20-14-10-8-7-9-11-15-22-25(31)24-21(26(32)27(22)33)16-17-23(30)29-24/h16-17,33-34H,3-15,18-20H2,1-2H3,(H,29,30) |
| InChIKey |
YQLPFERSLGJEMU-UHFFFAOYSA-N |
| Molecular Weight |
473.654 g/mol |
| SMILES |
CCCCCC(CCCCC)(O)CCCCCCCCC=1C(=O)C2=C(C(=O)C1O)C=CC(=O)N2 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.821572 |
![6-Hydroxy-7-[9-hydroxy-9-pentyltetradecyl]-2,5,8[1H]-quinolinetrione](/api/spectrum/6RpHPCc2LGs/structure.png?h=300&w=458 "6-Hydroxy-7-[9-hydroxy-9-pentyltetradecyl]-2,5,8[1H]-quinolinetrione")
