| SpectraBase Spectrum ID |
9Usc8OVJI1I |
| Name |
Cyclohexanone, 2-(2,3-methylenedioxybenzene)-4-ethylenedioxy-2,6,6-trip |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
435.179420912 u |
| Formula |
C24H25N3O5 |
| InChI |
InChI=1S/C24H25N3O5/c25-9-1-6-22(7-2-10-26)15-24(31-12-13-32-24)16-23(21(22)28,8-3-11-27)18-4-5-19-20(14-18)30-17-29-19/h4-5,14H,1-3,6-8,12-13,15-17H2 |
| InChIKey |
GCPOPKQVCOTOAB-UHFFFAOYSA-N |
| Molecular Weight |
435.480 g/mol |
| SMILES |
C1=CC(=CC2=C1OCO2)C1(CC2(CC(C1=O)(CCC#N)CCC#N)OCCO2)CCC#N |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.867603 |
