| SpectraBase Compound ID | DOfKKfvf2Qi |
|---|---|
| InChI | InChI=1S/C18H25NO3/c1-22-18(21)16(14-15-8-3-2-4-9-15)10-7-11-17(20)19-12-5-6-13-19/h2-4,8-9,16H,5-7,10-14H2,1H3 |
| InChIKey | PUFFUUXSRYQIRJ-UHFFFAOYSA-N |
| Mol Weight | 303.4 g/mol |
| Molecular Formula | C18H25NO3 |
| Exact Mass | 303.183444 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4oGEqKV77fq |
|---|---|
| Name | Methyl 2-benzyl-6-oxo-6-(pyrrolidin-1-yl)hexanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 303.183443666 u |
| Formula | C18H25NO3 |
| InChI | InChI=1S/C18H25NO3/c1-22-18(21)16(14-15-8-3-2-4-9-15)10-7-11-17(20)19-12-5-6-13-19/h2-4,8-9,16H,5-7,10-14H2,1H3 |
| InChIKey | PUFFUUXSRYQIRJ-UHFFFAOYSA-N |
| Molecular Weight | 303.402 g/mol |
| SMILES | C(C(CCCC(N1CCCC1)=O)CC=1C=CC=CC1)(=O)OC |