| SpectraBase Spectrum ID |
71R2PM7BE3K |
| Name |
Isobutyramide, N-(2-pentyl)-N-octadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
409.428365394 u |
| Formula |
C27H55NO |
| InChI |
InChI=1S/C27H55NO/c1-6-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-28(26(5)23-7-2)27(29)25(3)4/h25-26H,6-24H2,1-5H3 |
| InChIKey |
SRQPTBJXIMMKDC-UHFFFAOYSA-N |
| Molecular Weight |
409.743 g/mol |
| SMILES |
C(N(C(CCC)C)C(=O)C(C)C)CCCCCCCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.866027 |
