SpectraBase Spectrum ID |
9nDXNR79hhz |
Name |
6H-Dibenzo[A,G]quinolizine-13-methanol, 5,8,13,13A-tetrahydro-2,3,9,10-tetramethoxy-, trans-(.+-.)- |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
385.188922968 u |
Formula |
C22H27NO5 |
InChI |
InChI=1S/C22H27NO5/c1-25-18-6-5-14-16(22(18)28-4)11-23-8-7-13-9-19(26-2)20(27-3)10-15(13)21(23)17(14)12-24/h5-6,9-10,17,21,24H,7-8,11-12H2,1-4H3/t17-,21-/m0/s1 |
InChIKey |
OTJKLCYKZHTVBL-UWJYYQICSA-N |
Molecular Weight |
385.460 g/mol |
SMILES |
[C@]12(N(CCC3=CC(=C(C=C23)OC)OC)CC=2C([C@@]1(CO)[H])=CC=C(C2OC)OC)[H] |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.896835 |