| SpectraBase Spectrum ID |
5GgRVoVJB86 |
| Name |
Phenyl 7-butyl-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 |
C19H21NO2 |
| InChI |
InChI=1S/C19H21NO2/c1-2-3-9-15-14-16-10-7-8-13-18(15)20(16)19(21)22-17-11-5-4-6-12-17/h4-8,10-14,16,18H,2-3,9H2,1H3/t16-,18+/m0/s1 |
| InChIKey |
MIBWOWHEYGCPMW-FUHWJXTLSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
295.382 g/mol |
| Reported Formula |
C19H21NO2 |
| SMILES |
[C@]12(N([C@](C=C2CCCC)(C=CC=C1)[H])C(=O)Oc1ccccc1)[H] |
| SPLASH |
splash10-0kvp-9440000000-f6bab4901796c980c65f |
| Source of Spectrum |
U1-2020-SM11-3bo |
| Thin-Layer Chromatography |
Rf = 0.47 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858976 |
![Phenyl 7-butyl-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/5GgRVoVJB86/structure.png?h=300&w=458 "Phenyl 7-butyl-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
