| SpectraBase Spectrum ID |
319zZuWacRI |
| Name |
Phenyl 7-(3-ethoxy-3-oxopropyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C20H21NO4 |
| InChI |
InChI=1S/C20H21NO4/c1-2-24-19(22)13-12-15-14-16-8-6-7-11-18(15)21(16)20(23)25-17-9-4-3-5-10-17/h3-11,14,16,18H,2,12-13H2,1H3/t16-,18+/m0/s1 |
| InChIKey |
OIACKCYJPVPTNN-FUHWJXTLSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
339.391 g/mol |
| Reported Formula |
C20H21NO4 |
| SMILES |
[C@]12(N([C@](C=C2CCC(OCC)=O)(C=CC=C1)[H])C(=O)Oc1ccccc1)[H] |
| SPLASH |
splash10-0as0-5930000000-a5ef8c38d719a548bf3f |
| Source of Spectrum |
U1-2020-SM15-3bg |
| Thin-Layer Chromatography |
Rf = 0.49 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858971 |
![Phenyl 7-(3-ethoxy-3-oxopropyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/319zZuWacRI/structure.png?h=300&w=458 "Phenyl 7-(3-ethoxy-3-oxopropyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
