| SpectraBase Spectrum ID |
o6NQNkYUdt |
| Name |
3-(Hydroxymethyl)-5,6-dimethoxy-2-(4-methoxyphenyl)-3H-isoindol-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
329.126322711 u |
| Formula |
C18H19NO5 |
| InChI |
InChI=1S/C18H19NO5/c1-22-12-6-4-11(5-7-12)19-15(10-20)13-8-16(23-2)17(24-3)9-14(13)18(19)21/h4-9,15,20H,10H2,1-3H3 |
| InChIKey |
LGJXJJYGPQDXOF-UHFFFAOYSA-N |
| Molecular Weight |
329.352 g/mol |
| SMILES |
C1(N(C(C=2C=C(C(=CC12)OC)OC)CO)C=1C=CC(=CC1)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925845 |
