| SpectraBase Spectrum ID |
8dmc79M4NVX |
| Name |
Carbonic acid, monoamide, N-propyl-N-(3-methylbutyl)-, 3-chloropropyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
249.149556715 u |
| Formula |
C12H24ClNO2 |
| InChI |
InChI=1S/C12H24ClNO2/c1-4-8-14(9-6-11(2)3)12(15)16-10-5-7-13/h11H,4-10H2,1-3H3 |
| InChIKey |
ONZPYVUMFRBIBT-UHFFFAOYSA-N |
| Molecular Weight |
249.782 g/mol |
| SMILES |
C(=O)(OCCCCl)N(CCC)CCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.933459 |
