SpectraBase Spectrum ID |
GtilXoJ8sxD |
Name |
Propionamide, 2,3-dichloro-N-hept-2-yl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
239.084369635 u |
Formula |
C10H19Cl2NO |
InChI |
InChI=1S/C10H19Cl2NO/c1-3-4-5-6-8(2)13-10(14)9(12)7-11/h8-9H,3-7H2,1-2H3,(H,13,14) |
InChIKey |
YRECOQKGOVROOK-UHFFFAOYSA-N |
Molecular Weight |
240.174 g/mol |
SMILES |
C(C(=O)NC(CCCCC)C)(CCl)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.836455 |