| SpectraBase Spectrum ID |
63FVELd4Hwd |
| Name |
Tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, 4-[2-(3,4-diethoxyphenyl)ethyl]-4-aza- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
355.178358285 u |
| Formula |
C21H25NO4 |
| InChI |
InChI=1S/C21H25NO4/c1-3-25-16-8-5-13(11-17(16)26-4-2)9-10-22-20(23)18-14-6-7-15(12-14)19(18)21(22)24/h5-8,11,14-15,18-19H,3-4,9-10,12H2,1-2H3 |
| InChIKey |
CEMDJRXKJDUJQM-UHFFFAOYSA-N |
| Molecular Weight |
355.434 g/mol |
| SMILES |
C(OC=1C=CC(CCN2C(C3C(C2=O)C2C=CC3C2)=O)=CC1OCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.921084 |
![Tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, 4-[2-(3,4-diethoxyphenyl)ethyl]-4-aza-](/api/spectrum/63FVELd4Hwd/structure.png?h=300&w=458 "Tricyclo[5.2.1.0(2,6)]dec-8-ene-3,5-dione, 4-[2-(3,4-diethoxyphenyl)ethyl]-4-aza-")
