SpectraBase Spectrum ID |
4VSHNXSra6J |
Name |
Acetamide, 2-chloro-N-(2-pentyl)-N-heptyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
261.185942225 u |
Formula |
C14H28ClNO |
InChI |
InChI=1S/C14H28ClNO/c1-4-6-7-8-9-11-16(14(17)12-15)13(3)10-5-2/h13H,4-12H2,1-3H3 |
InChIKey |
VYMFLXRKBIGIQD-UHFFFAOYSA-N |
Molecular Weight |
261.837 g/mol |
SMILES |
C(N(CCCCCCC)C(CCC)C)(=O)CCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.80015 |