| SpectraBase Spectrum ID |
BYjqhYF7uIj |
| Name |
Propionamide, 3-cyclopentyl-N-benzyl-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.271864750 u |
| Formula |
C22H35NO |
| InChI |
InChI=1S/C22H35NO/c1-2-3-4-5-11-18-23(19-21-14-7-6-8-15-21)22(24)17-16-20-12-9-10-13-20/h6-8,14-15,20H,2-5,9-13,16-19H2,1H3 |
| InChIKey |
JSWPOFNYMKEGCH-UHFFFAOYSA-N |
| Molecular Weight |
329.528 g/mol |
| SMILES |
C(N(CCCCCCC)CC1=CC=CC=C1)(=O)CCC1CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.969302 |
