SpectraBase Spectrum ID |
63wWV9hcaaS |
Name |
Isobutyramide, N-hexadecyl- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
311.318814943 u |
Formula |
C20H41NO |
InChI |
InChI=1S/C20H41NO/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-20(22)19(2)3/h19H,4-18H2,1-3H3,(H,21,22) |
InChIKey |
ZNXFIGSGUDJXIF-UHFFFAOYSA-N |
Molecular Weight |
311.554 g/mol |
SMILES |
C(C(=O)NCCCCCCCCCCCCCCCC)(C)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.893666 |