| SpectraBase Spectrum ID |
BDRDPq00GX3 |
| Name |
Isonipecotic acid, N-(octanoyl)-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.371244439 u |
| Formula |
C26H49NO3 |
| InChI |
InChI=1S/C26H49NO3/c1-3-5-7-9-10-11-12-13-15-17-23-30-26(29)24-19-21-27(22-20-24)25(28)18-16-14-8-6-4-2/h24H,3-23H2,1-2H3 |
| InChIKey |
BRDSVAUNJDZTAL-UHFFFAOYSA-N |
| Molecular Weight |
423.682 g/mol |
| SMILES |
C(CCCCCC(N1CCC(C(OCCCCCCCCCCCC)=O)CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.962301 |
