| SpectraBase Spectrum ID |
BlfOaPAw1m4 |
| Name |
1,2,3,4-Tetrahydro-6-hydroxy-7-.omega.-cyclohexyloctyl-5,8-quinolinedione |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.261693988 u |
| Formula |
C23H35NO3 |
| InChI |
InChI=1S/C23H35NO3/c25-21-19(23(27)22(26)18-15-10-16-24-20(18)21)14-9-4-2-1-3-6-11-17-12-7-5-8-13-17/h17,24,27H,1-16H2 |
| InChIKey |
MQSLIWAISHJQTH-UHFFFAOYSA-N |
| Molecular Weight |
373.537 g/mol |
| SMILES |
C1(=C(C(C2=C(C1=O)NCCC2)=O)O)CCCCCCCCC1CCCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.931839 |
