| SpectraBase Spectrum ID |
2dzKdkLHcVm |
| Name |
Ethyl 7-(4-methoxy-4-oxobutyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate |
| Appearance |
Yellowish oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H21NO4 |
| InChI |
InChI=1S/C16H21NO4/c1-3-21-16(19)17-13-8-4-5-9-14(17)12(11-13)7-6-10-15(18)20-2/h4-5,8-9,11,13-14H,3,6-7,10H2,1-2H3/t13-,14+/m0/s1 |
| InChIKey |
JNHIHEPXDLANIB-UHFFFAOYSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
291.347 g/mol |
| Reported Formula |
C16H21NO4 |
| SMILES |
[C@]12(N([C@](C=C2CCCC(OC)=O)(C=CC=C1)[H])C(=O)OCC)[H] |
| SPLASH |
splash10-00kf-4920000000-6f000c7f2662a5b3870a |
| Source of Spectrum |
U1-2020-SM8-3ah |
| Thin-Layer Chromatography |
Rf = 0.44 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858961 |
![Ethyl 7-(4-methoxy-4-oxobutyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/2dzKdkLHcVm/structure.png?h=300&w=458 "Ethyl 7-(4-methoxy-4-oxobutyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
