| SpectraBase Compound ID | 2ERRhrog291 |
|---|---|
| InChI | InChI=1S/C20H27NO7/c1-21-12-6-7-13(21)17(20(23)27-5)14(10-12)28-19(22)11-8-15(24-2)18(26-4)16(9-11)25-3/h8-9,12-14,17H,6-7,10H2,1-5H3/t12-,13+,14-,17+/m0/s1 |
| InChIKey | QXCDXRYKFKIOPT-UHFFFAOYSA-N |
| Mol Weight | 393.44 g/mol |
| Molecular Formula | C20H27NO7 |
| Exact Mass | 393.178752 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 5B3ycntTQL3 |
|---|---|
| Name | Trimethoxycocaine @P1415 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 393.178752206 u |
| Formula | C20H27NO7 |
| InChI | InChI=1S/C20H27NO7/c1-21-12-6-7-13(21)17(20(23)27-5)14(10-12)28-19(22)11-8-15(24-2)18(26-4)16(9-11)25-3/h8-9,12-14,17H,6-7,10H2,1-5H3 |
| InChIKey | QXCDXRYKFKIOPT-UHFFFAOYSA-N |
| Molecular Weight | 393.436 g/mol |
| SMILES | C12C(C(OC(C=3C=C(OC)C(=C(C3)OC)OC)=O)CC(N1C)CC2)C(=O)OC |