| SpectraBase Compound ID | 8ZXkBtbVtpY |
|---|---|
| InChI | InChI=1S/C23H29NO3/c1-2-26-22(25)23(20-10-5-3-6-11-20)14-17-24(18-15-23)16-9-19-27-21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3 |
| InChIKey | BJBNHFLHPVUTMP-UHFFFAOYSA-N |
| Mol Weight | 367.49 g/mol |
| Molecular Formula | C23H29NO3 |
| Exact Mass | 367.214744 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 2qESOeEUfvk |
|---|---|
| Name | Benzethidine in kbr |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 367.214743795 u |
| Formula | C23H29NO3 |
| InChI | InChI=1S/C23H29NO3/c1-2-26-22(25)23(20-10-5-3-6-11-20)14-17-24(18-15-23)16-9-19-27-21-12-7-4-8-13-21/h3-8,10-13H,2,9,14-19H2,1H3 |
| InChIKey | BJBNHFLHPVUTMP-UHFFFAOYSA-N |
| Molecular Weight | 367.489 g/mol |
| SMILES | CCOC(=O)C1(CCN(CC1)CCCOC1=CC=CC=C1)C=1C=CC=CC1 |