| SpectraBase Spectrum ID |
72pRTXMajms |
| Name |
Cyclopentanecarboxamide, N-(2-phenylethyl)-N-heptyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
315.256214686 u |
| Formula |
C21H33NO |
| InChI |
InChI=1S/C21H33NO/c1-2-3-4-5-11-17-22(21(23)20-14-9-10-15-20)18-16-19-12-7-6-8-13-19/h6-8,12-13,20H,2-5,9-11,14-18H2,1H3 |
| InChIKey |
BQTJDESXQDFWSO-UHFFFAOYSA-N |
| Molecular Weight |
315.501 g/mol |
| SMILES |
C1(=CC=CC=C1)CCN(C(=O)C1CCCC1)CCCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.966376 |
