| SpectraBase Spectrum ID |
KhUe659Mwgh |
| Name |
N-Phenyl-1',3'-dioxo-1-oxa-4-methylcoumarino[7,8-B]cycloheptano[5',6'-E]-(hexahydro)-isoindole |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
427.141972775 u |
| Formula |
C26H21NO5 |
| InChI |
InChI=1S/C26H21NO5/c1-14-7-24(28)32-23-12-22-16(10-19(14)23)8-15-9-20-21(11-17(15)13-31-22)26(30)27(25(20)29)18-5-3-2-4-6-18/h2-7,10-12,15,20-21H,8-9,13H2,1H3 |
| InChIKey |
LVQPQIWWQLAZOV-UHFFFAOYSA-N |
| Molecular Weight |
427.456 g/mol |
| SMILES |
C1(N(C(C2CC3CC=4C=C5C(=CC(OC5=CC4OCC3=CC12)=O)C)=O)C1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.943847 |
![N-Phenyl-1',3'-dioxo-1-oxa-4-methylcoumarino[7,8-b]cycloheptano[5',6'-e]-(hexahydro)-isoindole](/api/spectrum/KhUe659Mwgh/structure.png?h=300&w=458 "N-Phenyl-1',3'-dioxo-1-oxa-4-methylcoumarino[7,8-b]cycloheptano[5',6'-e]-(hexahydro)-isoindole")
