SpectraBase Spectrum ID |
ACo0CPS0GWg |
Name |
Propionamide, 3-chloro-N-(2-butyl)-N-dodecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
331.264192547 u |
Formula |
C19H38ClNO |
InChI |
InChI=1S/C19H38ClNO/c1-4-6-7-8-9-10-11-12-13-14-17-21(18(3)5-2)19(22)15-16-20/h18H,4-17H2,1-3H3 |
InChIKey |
VBZUYYGNTBMMMQ-UHFFFAOYSA-N |
Molecular Weight |
331.972 g/mol |
SMILES |
C(C(=O)N(CCCCCCCCCCCC)C(CC)C)CCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837173 |