| SpectraBase Compound ID | 1aTbgAJBhMH |
|---|---|
| InChI | InChI=1S/C21H33NO/c1-2-3-4-5-6-12-17-22(18-19-13-8-7-9-14-19)21(23)20-15-10-11-16-20/h7-9,13-14,20H,2-6,10-12,15-18H2,1H3 |
| InChIKey | IMTDQOPLMDVNGE-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C21H33NO |
| Exact Mass | 315.256215 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7yhaIUFl1zY |
|---|---|
| Name | Cyclopentanecarboxamide, N-benzyl-N-octyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.256214686 u |
| Formula | C21H33NO |
| InChI | InChI=1S/C21H33NO/c1-2-3-4-5-6-12-17-22(18-19-13-8-7-9-14-19)21(23)20-15-10-11-16-20/h7-9,13-14,20H,2-6,10-12,15-18H2,1H3 |
| InChIKey | IMTDQOPLMDVNGE-UHFFFAOYSA-N |
| Molecular Weight | 315.501 g/mol |
| SMILES | C(N(CCCCCCCC)CC1=CC=CC=C1)(=O)C1CCCC1 |