| SpectraBase Spectrum ID |
5XVioO17wB8 |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-pentyl-, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.298079498 u |
| Formula |
C19H39NO2 |
| InChI |
InChI=1S/C19H39NO2/c1-6-10-12-15-20(17(5)13-8-3)19(21)22-16-18(9-4)14-11-7-2/h17-18H,6-16H2,1-5H3 |
| InChIKey |
XCCFMOAQDLJBRQ-UHFFFAOYSA-N |
| Molecular Weight |
313.526 g/mol |
| SMILES |
CCCC(C)N(C(OCC(CCCC)CC)=O)CCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.964943 |
