| SpectraBase Spectrum ID |
5oKNzwzQR2T |
| Name |
2-Phenylbutanamide, N-(2-phenylethyl)-N-undecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
421.334465008 u |
| Formula |
C29H43NO |
| InChI |
InChI=1S/C29H43NO/c1-3-5-6-7-8-9-10-11-18-24-30(25-23-26-19-14-12-15-20-26)29(31)28(4-2)27-21-16-13-17-22-27/h12-17,19-22,28H,3-11,18,23-25H2,1-2H3 |
| InChIKey |
QGDBSJBYBGVYEO-UHFFFAOYSA-N |
| Molecular Weight |
421.669 g/mol |
| SMILES |
CCC(C(=O)N(CCCCCCCCCCC)CCC1=CC=CC=C1)C1=CC=CC=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895232 |
