| SpectraBase Spectrum ID |
DQNmhI9qttl |
| Name |
Ethyl 4-(2-fluoro-9-phenyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
351.163457113 u |
| Formula |
C22H22FNO2 |
| InChI |
InChI=1S/C22H22FNO2/c1-26-22(25)16-12-10-15(11-13-16)19-14-18-8-5-9-20(21(19)23)24(18)17-6-3-2-4-7-17/h2-4,6-7,10-13,18,20H,5,8-9,14H2,1H3/t18-,20+/m0/s1 |
| InChIKey |
SIOJOOJRKNCIOB-AZUAARDMSA-N |
| Instrument Name |
Thermo MAT95XP |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201605919 |
| Molecular Weight |
351.421 g/mol |
| Quality |
92 |
| Reported Formula |
C22H22O2N1F1 |
| SMILES |
[C@@]12(N([C@@](C(=C(C2)C2=CC=C(C=C2)C(=O)OC)F)(CCC1)[H])C1=CC=CC=C1)[H] |
| SPLASH |
splash10-066r-3809000000-093e11edd355ef0095c2 |
| Source of Spectrum |
QE-23-SM11-8a (DOI: 10.1002/chem.201605919) |
| Wiley ID |
1903697 |
![Ethyl 4-(2-fluoro-9-phenyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzoate](/api/spectrum/DQNmhI9qttl/structure.png?h=300&w=458 "Ethyl 4-(2-fluoro-9-phenyl-9-azabicyclo[3.3.1]non-2-en-3-yl)benzoate")
