| SpectraBase Spectrum ID |
43mPnZ3FR03 |
| Name |
Valeramide, 5-chloro-N-propyl-N-undecyl- |
| 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/c1-3-5-6-7-8-9-10-11-14-18-21(17-4-2)19(22)15-12-13-16-20/h3-18H2,1-2H3 |
| InChIKey |
SBWLTLFPNUYPPL-UHFFFAOYSA-N |
| Molecular Weight |
331.972 g/mol |
| SMILES |
C(N(CCC)CCCCCCCCCCC)(=O)CCCCCl |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951117 |
