| SpectraBase Spectrum ID |
FzPjshQINnp |
| Name |
Isonipecotic acid, N-allyloxycarbonyl-, dodecyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
381.287908736 u |
| Formula |
C22H39NO4 |
| InChI |
InChI=1S/C22H39NO4/c1-3-5-6-7-8-9-10-11-12-13-19-26-21(24)20-14-16-23(17-15-20)22(25)27-18-4-2/h4,20H,2-3,5-19H2,1H3 |
| InChIKey |
HEBHGVSZXGVXHR-UHFFFAOYSA-N |
| Molecular Weight |
381.557 g/mol |
| SMILES |
C=CCOC(N1CCC(C(OCCCCCCCCCCCC)=O)CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822962 |
