| SpectraBase Spectrum ID |
2ziXjxRaUkQ |
| Name |
(-)-(5R,12S)-8,9-timethoxy-2,3-(methylenedioxy)isopavinane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
325.131408092 u |
| Formula |
C19H19NO4 |
| InChI |
InChI=1S/C19H19NO4/c1-21-16-4-3-10-13(19(16)22-2)5-15-12-7-18-17(23-9-24-18)6-11(12)14(10)8-20-15/h3-4,6-7,14-15,20H,5,8-9H2,1-2H3/t14-,15+/m1/s1 |
| InChIKey |
OFXAGXJJCFALKU-CABCVRRESA-N |
| Molecular Weight |
325.364 g/mol |
| SMILES |
C12=C([C@@]3(CC4=C([C@]2(CN3)[H])C=CC(OC)=C4OC)[H])C=C2OCOC2=C1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.82548 |
