| SpectraBase Compound ID | HCTOCLDH7RX |
|---|---|
| InChI | InChI=1S/C23H27NO4/c1-5-26-20-9-8-16(13-22(20)27-6-2)12-19-18-15-23(28-7-3)21(25-4)14-17(18)10-11-24-19/h8-11,13-15H,5-7,12H2,1-4H3 |
| InChIKey | PTGHBSIGMHZHJG-UHFFFAOYSA-N |
| Mol Weight | 381.47 g/mol |
| Molecular Formula | C23H27NO4 |
| Exact Mass | 381.194008 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1fAbePO9SBS |
|---|---|
| Name | Ethaverine-m isomer-2 me P1363 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 381.194008349 u |
| Formula | C23H27NO4 |
| InChI | InChI=1S/C23H27NO4/c1-5-26-20-9-8-16(13-22(20)27-6-2)12-19-18-15-23(28-7-3)21(25-4)14-17(18)10-11-24-19/h8-11,13-15H,5-7,12H2,1-4H3 |
| InChIKey | PTGHBSIGMHZHJG-UHFFFAOYSA-N |
| Molecular Weight | 381.472 g/mol |
| SMILES | C1=C(OC)C(=CC2=C(CC3=CC=C(C(=C3)OCC)OCC)N=CC=C12)OCC |