SpectraBase Spectrum ID |
6vjNIVScJms |
Name |
Acetamide, 2-chloro-N-(2-butyl)-N-heptyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
247.170292160 u |
Formula |
C13H26ClNO |
InChI |
InChI=1S/C13H26ClNO/c1-4-6-7-8-9-10-15(12(3)5-2)13(16)11-14/h12H,4-11H2,1-3H3 |
InChIKey |
FSWFUOGZMHTYOO-UHFFFAOYSA-N |
Molecular Weight |
247.810 g/mol |
SMILES |
C(C(=O)N(CCCCCCC)C(CC)C)Cl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842753 |