| SpectraBase Spectrum ID |
GvgA5YDO9fO |
| Name |
Isonipecotic acid, N-(octanoyl)-, nonyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.324294246 u |
| Formula |
C23H43NO3 |
| InChI |
InChI=1S/C23H43NO3/c1-3-5-7-9-10-12-14-20-27-23(26)21-16-18-24(19-17-21)22(25)15-13-11-8-6-4-2/h21H,3-20H2,1-2H3 |
| InChIKey |
ADIGNYDSVNDYDS-UHFFFAOYSA-N |
| Molecular Weight |
381.601 g/mol |
| SMILES |
C(CCCC(N1CCC(C(OCCCCCCCCC)=O)CC1)=O)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.98044 |
