| SpectraBase Spectrum ID |
JcnYXdl4AxY |
| Name |
Carbonic acid, monoamide, N-propyl-N-hexadecyl-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
403.321707423 u |
| Formula |
C23H46ClNO2 |
| InChI |
InChI=1S/C23H46ClNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-21-25(20-4-2)23(26)27-22-18-19-24/h3-22H2,1-2H3 |
| InChIKey |
ZOVRAWBPIJOTJZ-UHFFFAOYSA-N |
| Molecular Weight |
404.079 g/mol |
| SMILES |
C(=O)(OCCCCl)N(CCC)CCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.822765 |
