| SpectraBase Spectrum ID |
8097vPVvIqp |
| Name |
Ethyl 4-[[5-(Ethoxycarbonyl)-trans-4-pentenyl]oxy]-5-Oxo-6-azatricyclo[4.4.1(2,10).0]undec-3-ene-endo-11-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29NO6 |
| InChI |
InChI=1S/C21H29NO6/c1-3-26-17(23)10-6-5-7-12-28-16-13-15-18(21(25)27-4-2)14-9-8-11-22(19(14)15)20(16)24/h6,10,13-15,18-19H,3-5,7-9,11-12H2,1-2H3/b10-6+ |
| InChIKey |
KEMYDPVYWBKAPY-UXBLZVDNSA-N |
| Molecular Weight |
391.464 g/mol |
| SMILES |
C12N3C(C(=CC2C(C1CCC3)C(=O)OCC)OCCC\C=C\C(=O)OCC)=O |
| SPLASH |
splash10-0006-9003000000-630614b061e952ffcefe |
| Source of Spectrum |
J-57-5712-18 |
| Synonyms |
ethyl 6-{[(4E)-6-ethoxy-6-oxo-4-hexenyl]oxy}-5-oxo-2,3,7a,8,8a,8b-hexahydro-1H,5H-cyclobuta[ij]quinolizine-8-carboxylate |
| Wiley ID |
1365355 |
![Ethyl 4-[[5-(Ethoxycarbonyl)-trans-4-pentenyl]oxy]-5-Oxo-6-azatricyclo[4.4.1(2,10).0]undec-3-ene-endo-11-carboxylate](/api/spectrum/8097vPVvIqp/structure.png?h=300&w=458 "Ethyl 4-[[5-(Ethoxycarbonyl)-trans-4-pentenyl]oxy]-5-Oxo-6-azatricyclo[4.4.1(2,10).0]undec-3-ene-endo-11-carboxylate")
