| SpectraBase Spectrum ID |
AUanA4aqsQe |
| Name |
Trans-13-methyl-2,3,10,11-tetramethoxyberbine |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
369.194008349 u |
| Formula |
C22H27NO4 |
| InChI |
InChI=1S/C22H27NO4/c1-13-16-10-20(26-4)19(25-3)9-15(16)12-23-7-6-14-8-18(24-2)21(27-5)11-17(14)22(13)23/h8-11,13,22H,6-7,12H2,1-5H3/t13-,22+/m0/s1 |
| InChIKey |
JSXVEHLBZGWCPH-WHEQGISXSA-N |
| Molecular Weight |
369.461 g/mol |
| SMILES |
[C@]12(N(CCC3=CC(=C(C=C23)OC)OC)CC2=C([C@@]1(C)[H])C=C(C(=C2)OC)OC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.839372 |
