| SpectraBase Spectrum ID |
CufwwCRpH7H |
| Name |
Isonipecotic acid, N-(octanoyl)-, tridecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
437.386894503 u |
| Formula |
C27H51NO3 |
| InChI |
InChI=1S/C27H51NO3/c1-3-5-7-9-10-11-12-13-14-16-18-24-31-27(30)25-20-22-28(23-21-25)26(29)19-17-15-8-6-4-2/h25H,3-24H2,1-2H3 |
| InChIKey |
KFEQDDJOYTZJJV-UHFFFAOYSA-N |
| Molecular Weight |
437.709 g/mol |
| SMILES |
C(CCCCCC(N1CCC(C(OCCCCCCCCCCCCC)=O)CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.945456 |
