| SpectraBase Spectrum ID |
GPoTtSzQimX |
| Name |
Carbonic acid, monoamide, N-propyl-N-heptyl-, 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/c1-3-5-6-7-8-12-16(11-4-2)14(17)18-13-9-10-15/h3-13H2,1-2H3 |
| InChIKey |
XGGWDXARFLOZEF-UHFFFAOYSA-N |
| Molecular Weight |
277.836 g/mol |
| SMILES |
C(=O)(OCCCCl)N(CCC)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.930916 |
