| SpectraBase Spectrum ID |
KdYnmWqOaqJ |
| Name |
(rac)-4-Benzyl 6-ethyl (3S,4aR,5R,6S,8R,8aR)-8-bromo-2-oxooctahydro-4H-3,5-methanobenzo[b][1,4]oxazine-4,6-dicarboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
451.063050426 u |
| Formula |
C20H22BrNO6 |
| InChI |
InChI=1S/C20H22BrNO6/c1-2-26-18(23)13-8-14(21)17-16-12(13)9-15(19(24)28-17)22(16)20(25)27-10-11-6-4-3-5-7-11/h3-7,12-17H,2,8-10H2,1H3/t12-,13+,14-,15+,16-,17+/m1/s1 |
| InChIKey |
WGIXFBVVGIZABD-VRXFMZDNSA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
452.301 g/mol |
| Quality |
87 |
| Reported Formula |
C20H22NO6(78)Br |
| SMILES |
C1[C@@]([C@@]2([C@@]3([C@]([C@@]1(Br)[H])(OC([C@@](N3C(=O)OCC1=CC=CC=C1)(C2)[H])=O)[H])[H])[H])(C(OCC)=O)[H] |
| SPLASH |
splash10-0006-9032000000-70a6c24701f046a8237d |
| Source of Spectrum |
QE-21-SM44-59 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.29 (cHex/EtOAc, 2:1) |
| Wiley ID |
1906911 |
![(rac)-4-Benzyl 6-ethyl (3S,4aR,5R,6S,8R,8aR)-8-bromo-2-oxooctahydro-4H-3,5-methanobenzo[b][1,4]oxazine-4,6-dicarboxylate](/api/spectrum/KdYnmWqOaqJ/structure.png?h=300&w=458 "(rac)-4-Benzyl 6-ethyl (3S,4aR,5R,6S,8R,8aR)-8-bromo-2-oxooctahydro-4H-3,5-methanobenzo[b][1,4]oxazine-4,6-dicarboxylate")
