| SpectraBase Spectrum ID |
Lk6aJrl5PI5 |
| Name |
Isonipecotic acid, N-(3-methylbutyryl)-, undecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
367.308644181 u |
| Formula |
C22H41NO3 |
| InChI |
InChI=1S/C22H41NO3/c1-4-5-6-7-8-9-10-11-12-17-26-22(25)20-13-15-23(16-14-20)21(24)18-19(2)3/h19-20H,4-18H2,1-3H3 |
| InChIKey |
SWRUXPGKRZYFEA-UHFFFAOYSA-N |
| Molecular Weight |
367.574 g/mol |
| SMILES |
CC(CC(N1CCC(C(OCCCCCCCCCCC)=O)CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.915301 |
