| SpectraBase Spectrum ID |
HL8V6Ybo37i |
| Name |
Butyramide, 2-phenyl-N-propyl-N-octadecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
457.428365394 u |
| Formula |
C31H55NO |
| InChI |
InChI=1S/C31H55NO/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-24-28-32(27-5-2)31(33)30(6-3)29-25-22-21-23-26-29/h21-23,25-26,30H,4-20,24,27-28H2,1-3H3 |
| InChIKey |
XTJQESLKGAQHER-UHFFFAOYSA-N |
| Molecular Weight |
457.787 g/mol |
| SMILES |
C(N(CCC)CCCCCCCCCCCCCCCCCC)(=O)C(CC)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.842746 |
