| SpectraBase Spectrum ID |
6l9gnQ92ai2 |
| Name |
(1R,2S)-2-Bromo-1-(benzylcarbamoyl)cyclohexyl-benzoate |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.078306569 u |
| Formula |
C21H22BrNO3 |
| InChI |
InChI=1S/C21H22BrNO3/c22-18-13-7-8-14-21(18,26-19(24)17-11-5-2-6-12-17)20(25)23-15-16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2,(H,23,25)/t18-,21-/m0/s1 |
| InChIKey |
COCPNNZUMVIGBL-RXVVDRJESA-N |
| Instrument Name |
Finnigan MAT SSQ 7000 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201405888 |
| Molecular Weight |
416.315 g/mol |
| Quality |
104 |
| Reported Formula |
C22H22O3NBr |
| SMILES |
N(C([C@@]1(CCCC[C@@]1(Br)[H])OC(C1=CC=CC=C1)=O)=O)CC1=CC=CC=C1 |
| SPLASH |
splash10-0bt9-2890000000-6f9d6285db9ac9472417 |
| Source of Spectrum |
QE-21-SM27-7m (DOI: 10.1002/chem.201405888) |
| Thin-Layer Chromatography |
0.87 (DCM) |
| Wiley ID |
1907052 |
