| SpectraBase Compound ID | 2u4iBKEF9KD |
|---|---|
| InChI | InChI=1S/C16H23NO2/c1-3-8-14(17-11-6-7-12-17)16(18)13-9-4-5-10-15(13)19-2/h4-5,9-10,14H,3,6-8,11-12H2,1-2H3 |
| InChIKey | CMCSAGCRVCBPBL-UHFFFAOYSA-N |
| Mol Weight | 261.36 g/mol |
| Molecular Formula | C16H23NO2 |
| Exact Mass | 261.172879 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1i6wJJHEwgG |
|---|---|
| Name | 1-(2-Methoxyphenyl)-2-(pyrrolidin-1-yl)pentan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 261.172878983 u |
| Formula | C16H23NO2 |
| InChI | InChI=1S/C16H23NO2/c1-3-8-14(17-11-6-7-12-17)16(18)13-9-4-5-10-15(13)19-2/h4-5,9-10,14H,3,6-8,11-12H2,1-2H3 |
| InChIKey | CMCSAGCRVCBPBL-UHFFFAOYSA-N |
| Molecular Weight | 261.365 g/mol |
| SMILES | C1=CC=CC(=C1OC)C(C(N1CCCC1)CCC)=O |