| SpectraBase Compound ID | Hx54fYbT9d1 |
|---|---|
| InChI | InChI=1S/C22H25NO4/c1-4-8-23-9-7-14-15-6-5-13-10-18(24)19(26-2)11-16(13)20(15)22(27-3)21(25)17(14)12-23/h5-6,10-11,24-25H,4,7-9,12H2,1-3H3 |
| InChIKey | IFMOVFFRZLWNFZ-UHFFFAOYSA-N |
| Mol Weight | 367.45 g/mol |
| Molecular Formula | C22H25NO4 |
| Exact Mass | 367.178358 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 80YOFD0HZPL |
|---|---|
| Name | N-Propyl-nor-litebamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.178358285 u |
| Formula | C22H25NO4 |
| InChI | InChI=1S/C22H25NO4/c1-4-8-23-9-7-14-15-6-5-13-10-18(24)19(26-2)11-16(13)20(15)22(27-3)21(25)17(14)12-23/h5-6,10-11,24-25H,4,7-9,12H2,1-3H3 |
| InChIKey | IFMOVFFRZLWNFZ-UHFFFAOYSA-N |
| Molecular Weight | 367.445 g/mol |
| SMILES | C12=C(C3=CC=C4C(=C3C(=C2O)OC)C=C(OC)C(=C4)O)CCN(C1)CCC |