SpectraBase Spectrum ID |
usV94ba8aT |
Name |
Butyramide, 4-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 |
345.279842611 u |
Formula |
C20H40ClNO |
InChI |
InChI=1S/C20H40ClNO/c1-4-6-7-8-9-10-11-12-13-14-18-22(19(3)5-2)20(23)16-15-17-21/h19H,4-18H2,1-3H3 |
InChIKey |
JQZYOCLTNGPXLW-UHFFFAOYSA-N |
Molecular Weight |
345.999 g/mol |
SMILES |
C(N(CCCCCCCCCCCC)C(CC)C)(=O)CCCCl |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.897233 |