| SpectraBase Spectrum ID |
CFjBQ1EtHOH |
| Name |
Carbonic acid, monoamide, N-propyl-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 |
313.298079498 u |
| Formula |
C19H39NO2 |
| InChI |
InChI=1S/C19H39NO2/c1-5-9-11-12-13-16-20(15-7-3)19(21)22-17-18(8-4)14-10-6-2/h18H,5-17H2,1-4H3 |
| InChIKey |
BOXQQKRPWCGCRW-UHFFFAOYSA-N |
| Molecular Weight |
313.526 g/mol |
| SMILES |
C(=O)(OCC(CCCC)CC)N(CCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.959803 |
