| SpectraBase Spectrum ID |
JUZ2pfaRAuD |
| Name |
Carbonic acid, monoamide, N-(2-butyl)-N-hexyl-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
277.180856844 u |
| Formula |
C14H28ClNO2 |
| InChI |
InChI=1S/C14H28ClNO2/c1-4-6-7-8-11-16(13(3)5-2)14(17)18-12-9-10-15/h13H,4-12H2,1-3H3 |
| InChIKey |
ZAYSGBSIRCGSCF-UHFFFAOYSA-N |
| Molecular Weight |
277.836 g/mol |
| SMILES |
C(N(CCCCCC)C(CC)C)(=O)OCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.862555 |
