| SpectraBase Spectrum ID |
Jea8yaofRU2 |
| Name |
(+-)-o-methylthalisopavine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.178358285 u |
| Formula |
C21H25NO4 |
| InChI |
InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3/t16-,17-/m0/s1 |
| InChIKey |
QEOWCPFWLCIQSL-IRXDYDNUSA-N |
| Molecular Weight |
355.434 g/mol |
| SMILES |
[C@@]12(N([C@@](CC3=CC(=C(C=C23)OC)OC)(C2=C(C=C(C(=C2)OC)OC)C1)[H])C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.941728 |
