| SpectraBase Spectrum ID |
CWBOzw9y7uZ |
| Name |
3(2H)-Isoquinolinone, 1,4-dihydro-7-hydroxy-6-methoxy-4-(4-methoxyphenyl)-2-methyl-, (.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
313.131408092 u |
| Formula |
C18H19NO4 |
| InChI |
InChI=1S/C18H19NO4/c1-19-10-12-8-15(20)16(23-3)9-14(12)17(18(19)21)11-4-6-13(22-2)7-5-11/h4-9,17,20H,10H2,1-3H3 |
| InChIKey |
RWLJRHYLJGVXCA-UHFFFAOYSA-N |
| Molecular Weight |
313.353 g/mol |
| SMILES |
C1=2C(C(=O)N(CC2C=C(C(=C1)OC)O)C)C=1C=CC(=CC1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922944 |
