| SpectraBase Spectrum ID |
AMBHqfKlKSy |
| Name |
Phenyl 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 |
C18H16N2O2 |
| InChI |
InChI=1S/C18H16N2O2/c19-12-6-7-14-13-15-8-4-5-11-17(14)20(15)18(21)22-16-9-2-1-3-10-16/h1-5,8-11,13,15,17H,6-7H2/t15-,17+/m0/s1 |
| InChIKey |
KNBCPHCIBJFLFQ-DOTOQJQBSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
292.338 g/mol |
| Reported Formula |
C18H16N2O2 |
| SMILES |
[C@]12(N([C@](C=C2CCC#N)(C=CC=C1)[H])C(=O)Oc1ccccc1)[H] |
| SPLASH |
splash10-05pp-5900000000-3aa32392d6770ecb1140 |
| Source of Spectrum |
U1-2020-SM13-3bd |
| Thin-Layer Chromatography |
Rf = 0.48 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858969 |
![Phenyl 7-(2-cyanoethyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/AMBHqfKlKSy/structure.png?h=300&w=458 "Phenyl 7-(2-cyanoethyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
