| SpectraBase Spectrum ID |
I2cxNMcDof0 |
| Name |
Carbonic acid, monoamide, N-propyl-N-undecyl-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
333.243457101 u |
| Formula |
C18H36ClNO2 |
| InChI |
InChI=1S/C18H36ClNO2/c1-3-5-6-7-8-9-10-11-12-16-20(15-4-2)18(21)22-17-13-14-19/h3-17H2,1-2H3 |
| InChIKey |
ZMHZIGDNXSLKOD-UHFFFAOYSA-N |
| Molecular Weight |
333.944 g/mol |
| SMILES |
C(=O)(OCCCCl)N(CCC)CCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.854153 |
