| SpectraBase Spectrum ID |
Kyrhyfp7u1z |
| Name |
Isonipecotic acid, N-(3-methylbutyryl)-, decyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
353.292994117 u |
| Formula |
C21H39NO3 |
| InChI |
InChI=1S/C21H39NO3/c1-4-5-6-7-8-9-10-11-16-25-21(24)19-12-14-22(15-13-19)20(23)17-18(2)3/h18-19H,4-17H2,1-3H3 |
| InChIKey |
CMVACSQQPKHJQC-UHFFFAOYSA-N |
| Molecular Weight |
353.547 g/mol |
| SMILES |
CC(CC(N1CCC(C(OCCCCCCCCCC)=O)CC1)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925451 |
