| SpectraBase Spectrum ID |
DeITelFyAbO |
| Name |
Phenyl 7-(3-cyanopropyl)-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 |
C19H18N2O2 |
| InChI |
InChI=1S/C19H18N2O2/c20-13-7-6-8-15-14-16-9-4-5-12-18(15)21(16)19(22)23-17-10-2-1-3-11-17/h1-5,9-12,14,16,18H,6-8H2/t16-,18+/m0/s1 |
| InChIKey |
WTAIDSMFSCMUAZ-FUHWJXTLSA-N |
| Instrument Name |
Shimadzu GC??MS-QP2010 Plus |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/ejoc.201901837 |
| Molecular Weight |
306.365 g/mol |
| Reported Formula |
C19H18N2O2 |
| SMILES |
[C@]12(N([C@](C=C2CCCC#N)(C=CC=C1)[H])C(=O)Oc1ccccc1)[H] |
| SPLASH |
splash10-05ox-9530000000-c2fee567fe72f40d34a7 |
| Source of Spectrum |
U1-2020-SM14-3bp |
| Thin-Layer Chromatography |
Rf = 0.50 (petroleum ether/ethyl acetate 15:1, 10:1, 5:1) |
| Wiley ID |
1858977 |
![Phenyl 7-(3-cyanopropyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate](/api/spectrum/DeITelFyAbO/structure.png?h=300&w=458 "Phenyl 7-(3-cyanopropyl)-9-azabicyclo[4.2.1]nona-2,4,7-triene-9-carboxylate")
