| SpectraBase Spectrum ID |
3Bc39srUG4X |
| Name |
Phenol, 2,3-dimethoxy-6-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquin olinyl)methyl]-, (S)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
373.188922968 u |
| Formula |
C21H27NO5 |
| InChI |
InChI=1S/C21H27NO5/c1-22-9-8-13-11-18(25-3)19(26-4)12-15(13)16(22)10-14-6-7-17(24-2)21(27-5)20(14)23/h6-7,11-12,16,23H,8-10H2,1-5H3/t16-/m0/s1 |
| InChIKey |
CVJQCDDZUIBQHM-INIZCTEOSA-N |
| Molecular Weight |
373.449 g/mol |
| SMILES |
C1=2[C@@](N(C)CCC2C=C(C(=C1)OC)OC)(CC1=C(C(OC)=C(C=C1)OC)O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.87859 |
![Phenol, 2,3-dimethoxy-6-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquin olinyl)methyl]-, (S)-](/api/spectrum/3Bc39srUG4X/structure.png?h=300&w=458 "Phenol, 2,3-dimethoxy-6-[(1,2,3,4-tetrahydro-6,7-dimethoxy-2-methyl-1-isoquin olinyl)methyl]-, (S)-")
