| SpectraBase Spectrum ID |
8a0nEVXfH6 |
| Name |
3-Cyclopentylpropionamide, N-(2-phenylethyl)-N-dodecyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
413.365765136 u |
| Formula |
C28H47NO |
| InChI |
InChI=1S/C28H47NO/c1-2-3-4-5-6-7-8-9-10-16-24-29(25-23-27-17-12-11-13-18-27)28(30)22-21-26-19-14-15-20-26/h11-13,17-18,26H,2-10,14-16,19-25H2,1H3 |
| InChIKey |
MQADDYGWFGEUSM-UHFFFAOYSA-N |
| Molecular Weight |
413.690 g/mol |
| SMILES |
C1=CC=CC(=C1)CCN(C(=O)CCC1CCCC1)CCCCCCCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.934976 |
