| SpectraBase Spectrum ID |
8UVsRcw0Yq1 |
| Name |
Phenyl 7-hexyl-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 |
C21H25NO2 |
| InChI |
InChI=1S/C21H25NO2/c1-2-3-4-6-11-17-16-18-12-9-10-15-20(17)22(18)21(23)24-19-13-7-5-8-14-19/h5,7-10,12-16,18,20H,2-4,6,11H2,1H3/t18-,20+/m0/s1 |
| InChIKey |
YQCGDJLLFNUNNQ-AZUAARDMSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
323.436 g/mol |
| Reported Formula |
C21H25NO2 |
| SMILES |
[C@]12(N([C@](C=C2CCCCCC)(C=CC=C1)[H])C(=O)Oc1ccccc1)[H] |
| SPLASH |
splash10-002f-9630000000-077b0a47f95576a49413 |
| Source of Spectrum |
U1-2020-SM12-3ba |
| Thin-Layer Chromatography |
Rf = 0.49 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858966 |
![Phenyl 7-hexyl-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/8UVsRcw0Yq1/structure.png?h=300&w=458 "Phenyl 7-hexyl-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
