| SpectraBase Spectrum ID |
4sEr59Vfzn3 |
| Name |
Ethyl 7-(2-cyanoethyl)-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 |
C14H16N2O2 |
| InChI |
InChI=1S/C14H16N2O2/c1-2-18-14(17)16-12-7-3-4-8-13(16)11(10-12)6-5-9-15/h3-4,7-8,10,12-13H,2,5-6H2,1H3/t12-,13+/m0/s1 |
| InChIKey |
KXEPVABJRLYGLH-QWHCGFSZSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
244.294 g/mol |
| Reported Formula |
C14H16N2O2 |
| SMILES |
[C@]12(N([C@](C=C2CCC#N)(C=CC=C1)[H])C(=O)OCC)[H] |
| SPLASH |
splash10-0frx-1910000000-b1053d5c10679f8038cc |
| Source of Spectrum |
U1-2020-SM6-3ad |
| Thin-Layer Chromatography |
Rf = 0.46 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858957 |
![Ethyl 7-(2-cyanoethyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/4sEr59Vfzn3/structure.png?h=300&w=458 "Ethyl 7-(2-cyanoethyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
