SpectraBase Spectrum ID |
3780LAfJqpM |
Name |
Carbonic acid, monoamide, N-(2-butyl)-N-butyl-, 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/c1-4-6-9-14(11(3)5-2)12(15)16-10-7-8-13/h11H,4-10H2,1-3H3 |
InChIKey |
ZTILWLQOCDXQIY-UHFFFAOYSA-N |
Molecular Weight |
249.782 g/mol |
SMILES |
C(N(CCCC)C(CC)C)(=O)OCCCCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.843138 |