| SpectraBase Spectrum ID |
A93MDsZwjXC |
| Name |
1(2H)-Isoquinolinone, 3-(2-ethenyl-4,5-dimethoxyphenyl)-5,7,8-trimethoxy-2-methyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
411.168187523 u |
| Formula |
C23H25NO6 |
| InChI |
InChI=1S/C23H25NO6/c1-8-13-9-18(27-4)19(28-5)11-14(13)16-10-15-17(26-3)12-20(29-6)22(30-7)21(15)23(25)24(16)2/h8-12H,1H2,2-7H3 |
| InChIKey |
BACUZAPCCBZSRW-UHFFFAOYSA-N |
| Molecular Weight |
411.454 g/mol |
| SMILES |
C1=2C(N(C)C(=CC2C(OC)=CC(=C1OC)OC)C=1C(=CC(=C(C1)OC)OC)C=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.93913 |
