| SpectraBase Spectrum ID |
7mHaSZBAb0W |
| Name |
Isoquinoline, 4-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-(p henylmethyl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
433.225308478 u |
| Formula |
C27H31NO4 |
| InChI |
InChI=1S/C27H31NO4/c1-29-24-11-10-20(13-25(24)30-2)12-21-17-28(16-19-8-6-5-7-9-19)18-22-14-26(31-3)27(32-4)15-23(21)22/h5-11,13-15,21H,12,16-18H2,1-4H3 |
| InChIKey |
RQZKXSHTZQRXCS-UHFFFAOYSA-N |
| Molecular Weight |
433.548 g/mol |
| SMILES |
C12=C(C=C(C(=C2)OC)OC)CN(CC1CC=1C=C(OC)C(=CC1)OC)CC=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.955869 |
![Isoquinoline, 4-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-(p henylmethyl)-](/api/spectrum/7mHaSZBAb0W/structure.png?h=300&w=458 "Isoquinoline, 4-[(3,4-dimethoxyphenyl)methyl]-1,2,3,4-tetrahydro-6,7-dimethoxy-2-(p henylmethyl)-")
