| SpectraBase Spectrum ID |
CscpH4mmKmz |
| Name |
6-(2-Allyl-1,2-dihydro-6,7-dimethoxy-1-oxoisoquinolin-3-yl)benzo[D][1,3]dioxole-5-carbaldehyde |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
393.121237330 u |
| Formula |
C22H19NO6 |
| InChI |
InChI=1S/C22H19NO6/c1-4-5-23-17(15-9-21-20(28-12-29-21)8-14(15)11-24)6-13-7-18(26-2)19(27-3)10-16(13)22(23)25/h4,6-11H,1,5,12H2,2-3H3 |
| InChIKey |
NERWPRYOXCTZMM-UHFFFAOYSA-N |
| Molecular Weight |
393.395 g/mol |
| SMILES |
C=1(N(C(=O)C=2C(C1)=CC(=C(OC)C2)OC)CC=C)C1=CC=2OCOC2C=C1C=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.911443 |
![6-(2-Allyl-1,2-dihydro-6,7-dimethoxy-1-oxoisoquinolin-3-yl)benzo[d][1,3]dioxole-5-carbaldehyde](/api/spectrum/CscpH4mmKmz/structure.png?h=300&w=458 "6-(2-Allyl-1,2-dihydro-6,7-dimethoxy-1-oxoisoquinolin-3-yl)benzo[d][1,3]dioxole-5-carbaldehyde")
