| SpectraBase Spectrum ID |
BecLUuXH612 |
| Name |
(3S)-5-Bromo-3,6-dimethyl-2,3-dihydrobenzofuran |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
225.999327973 u |
| Formula |
C10H11BrO |
| GC Column |
Macherey-Nagel OPTIMA1 or Macherey-Nagel OPTIMA5 (25 m x 0.2 mm or 30 m x 0.25 mm, film thickness 0.35 micrometer or 0.25 micrometer) |
| InChI |
InChI=1S/C10H11BrO/c1-6-3-10-8(4-9(6)11)7(2)5-12-10/h3-4,7H,5H2,1-2H3/t7-/m1/s1 |
| InChIKey |
ROTZMQDPVYKUJN-SSDOTTSWSA-N |
| Instrument Name |
5932 series II or HP6890-HP5970A |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201404903 |
| Molecular Weight |
227.101 g/mol |
| Optical Rotation |
[a]D20 = -8.5 (c = 1.00, CHCl3) |
| Quality |
133 |
| SMILES |
C1(Br)=CC2=C(C=C1C)OC[C@]2(C)[H] |
| SPLASH |
splash10-001i-0970000000-87cad5fba4d116a5d163 |
| Sample Comments |
92% ee |
| Source of Spectrum |
QE-21-SM52-2 (DOI: 10.1002/chem.201404903) |
| Thin-Layer Chromatography |
0.73 (SiO2, cyclohexane/EtOAc, 9:1) |
| Wiley ID |
1906981 |
