| SpectraBase Spectrum ID |
IadmN54cjhD |
| Name |
(rac)-Benzyl (2S,3aS,7aS)-4-bromo-2-(furan-2-yl)-2,3,3a,4,5,7a-hexahydro-1H-indole-1-carboxylate |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
401.062656505 u |
| Formula |
C20H20BrNO3 |
| InChI |
InChI=1S/C20H20BrNO3/c21-16-8-4-9-17-15(16)12-18(19-10-5-11-24-19)22(17)20(23)25-13-14-6-2-1-3-7-14/h1-7,9-11,15-18H,8,12-13H2/t15-,16?,17+,18+/m1/s1 |
| InChIKey |
YZIVJRPJMXCFQS-VGKGQJMESA-N |
| Instrument Name |
Finnigan MAT 90 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201501199 |
| Molecular Weight |
402.288 g/mol |
| Quality |
124 |
| Reported Formula |
C20H20(78)BrNO3 |
| SMILES |
C1C([C@@]2([C@](C=C1)(N([C@@](C2)(C1=CC=CO1)[H])C(=O)OCC1=CC=CC=C1)[H])[H])Br |
| SPLASH |
splash10-03dl-7239000000-6c045913a09bd51aa148 |
| Source of Spectrum |
QE-21-SM14-23 (DOI: 10.1002/chem.201501199) |
| Thin-Layer Chromatography |
0.16 (cHex/EtOAc, 10:1) |
| Wiley ID |
1906890 |
