| SpectraBase Spectrum ID |
RbCwsNxbit |
| Name |
Carbonic acid, monoamide, N-(2-pentyl)-N-heptyl-, 2-ethylhexyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.329379627 u |
| Formula |
C21H43NO2 |
| InChI |
InChI=1S/C21H43NO2/c1-6-10-12-13-14-17-22(19(5)15-8-3)21(23)24-18-20(9-4)16-11-7-2/h19-20H,6-18H2,1-5H3 |
| InChIKey |
ZITPZAYZFPEXAI-UHFFFAOYSA-N |
| Molecular Weight |
341.580 g/mol |
| SMILES |
CCCC(C)N(C(OCC(CCCC)CC)=O)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967268 |
