| SpectraBase Spectrum ID |
5VnXACGyZmV |
| Name |
2,6-Diazabicyclo[2.2.2]oct-7-ene-3,5-dione, 8-(diethylamino)-1-(ethylthio)-2,6,7-trimethyl-4-phenyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.198048358 u |
| Formula |
C21H29N3O2S |
| InChI |
InChI=1S/C21H29N3O2S/c1-7-24(8-2)17-15(4)21(27-9-3)22(5)18(25)20(17,19(26)23(21)6)16-13-11-10-12-14-16/h10-14H,7-9H2,1-6H3/t20-,21- |
| InChIKey |
JLVCZVIWOLIQIK-MEMLXQNLSA-N |
| Molecular Weight |
387.542 g/mol |
| SMILES |
[C@]12(N(C(=O)[C@@](C(=C2C)N(CC)CC)(C2=CC=CC=C2)C(N1C)=O)C)SCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.884471 |
![2,6-Diazabicyclo[2.2.2]oct-7-ene-3,5-dione, 8-(diethylamino)-1-(ethylthio)-2,6,7-trimethyl-4-phenyl-](/api/spectrum/5VnXACGyZmV/structure.png?h=300&w=458 "2,6-Diazabicyclo[2.2.2]oct-7-ene-3,5-dione, 8-(diethylamino)-1-(ethylthio)-2,6,7-trimethyl-4-phenyl-")
