| SpectraBase Compound ID | 3ptbIGS1aLF |
|---|---|
| InChI | InChI=1S/C18H23NO6/c1-19-11-5-6-12(19)16(18(22)24-3)15(9-11)25-17(21)10-4-7-13(20)14(8-10)23-2/h4,7-8,11-12,15-16,20H,5-6,9H2,1-3H3 |
| InChIKey | BHHXESNMOOYSOJ-UHFFFAOYSA-N |
| Mol Weight | 349.38 g/mol |
| Molecular Formula | C18H23NO6 |
| Exact Mass | 349.152537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6RhkZ8PrLe8 |
|---|---|
| Name | Cocaine-m (ho-methoxy-) P1204 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 349.152537459 u |
| Formula | C18H23NO6 |
| InChI | InChI=1S/C18H23NO6/c1-19-11-5-6-12(19)16(18(22)24-3)15(9-11)25-17(21)10-4-7-13(20)14(8-10)23-2/h4,7-8,11-12,15-16,20H,5-6,9H2,1-3H3 |
| InChIKey | BHHXESNMOOYSOJ-UHFFFAOYSA-N |
| Molecular Weight | 349.383 g/mol |
| SMILES | C=1(C=CC(=C(C1)OC)O)C(OC1CC2CCC(C1C(OC)=O)N2C)=O |