| SpectraBase Compound ID | CL71LDs0VHl |
|---|---|
| InChI | InChI=1S/C21H21NO2/c1-24-17-12-10-15(11-13-17)21(23)19-14-22(16-6-2-3-7-16)20-9-5-4-8-18(19)20/h4-5,8-14,16H,2-3,6-7H2,1H3 |
| InChIKey | JAQUNKOMRWWZDY-UHFFFAOYSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C21H21NO2 |
| Exact Mass | 319.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KxwjekzF02l |
|---|---|
| Name | rcs-4 (Cyclopentyl) |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.157228918 u |
| Formula | C21H21NO2 |
| InChI | InChI=1S/C21H21NO2/c1-24-17-12-10-15(11-13-17)21(23)19-14-22(16-6-2-3-7-16)20-9-5-4-8-18(19)20/h4-5,8-14,16H,2-3,6-7H2,1H3 |
| InChIKey | JAQUNKOMRWWZDY-UHFFFAOYSA-N |
| Molecular Weight | 319.404 g/mol |
| SMILES | C=1(C=2C(N(C1)C1CCCC1)=CC=CC2)C(C=1C=CC(=CC1)OC)=O |