| SpectraBase Compound ID | K3x2CD94oNj |
|---|---|
| InChI | InChI=1S/C23H29NO4/c1-26-16-19-7-5-13-24(19)23(25)21-15-18(11-12-22(21)28-3)10-9-17-6-4-8-20(14-17)27-2/h4,6,8,11-12,14-15,19H,5,7,9-10,13,16H2,1-3H3/t19-/m0/s1 |
| InChIKey | UFNCVOQJNOFRDW-IBGZPJMESA-N |
| Mol Weight | 383.49 g/mol |
| Molecular Formula | C23H29NO4 |
| Exact Mass | 383.209658 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HIK2e2uioxz |
|---|---|
| Name | (S)-(2-Methoxy-5-(3-methoxyphenethyl)phenyl)(2-(methoxymethyl)pyrrolidin-1-yl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 383.209658414 u |
| Formula | C23H29NO4 |
| InChI | InChI=1S/C23H29NO4/c1-26-16-19-7-5-13-24(19)23(25)21-15-18(11-12-22(21)28-3)10-9-17-6-4-8-20(14-17)27-2/h4,6,8,11-12,14-15,19H,5,7,9-10,13,16H2,1-3H3/t19-/m0/s1 |
| InChIKey | UFNCVOQJNOFRDW-IBGZPJMESA-N |
| Molecular Weight | 383.488 g/mol |
| SMILES | C=1(CCC2=CC=CC(=C2)OC)C=C(C(=CC1)OC)C(N1[C@@](CCC1)(COC)[H])=O |