| SpectraBase Compound ID | 6DtpmCG2vcb |
|---|---|
| InChI | InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+ |
| InChIKey | MQIXMJWNEKUAOZ-DHZHZOJOSA-N |
| Mol Weight | 329.4 g/mol |
| Molecular Formula | C19H23NO4 |
| Exact Mass | 329.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FkY8btMloZm |
|---|---|
| Name | Cinnamoylcocaine isomer-1 P1088 |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.162708221 u |
| Formula | C19H23NO4 |
| InChI | InChI=1S/C19H23NO4/c1-20-14-9-10-15(20)18(19(22)23-2)16(12-14)24-17(21)11-8-13-6-4-3-5-7-13/h3-8,11,14-16,18H,9-10,12H2,1-2H3/b11-8+ |
| InChIKey | MQIXMJWNEKUAOZ-DHZHZOJOSA-N |
| Molecular Weight | 329.396 g/mol |
| SMILES | C12C(C(OC(\C=C\C=3C=CC=CC3)=O)CC(N1C)CC2)C(=O)OC |