| SpectraBase Spectrum ID |
LJM6sewsDub |
| Name |
(3aR*, 9bS*)-6-Bromo-1,2,3a,4,5,9b-hexahydronaphtho[2,1-b]furan |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
252.014978038 u |
| Formula |
C12H13BrO |
| GC Column |
(30 m ?? 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 180 oC |
| InChI |
InChI=1S/C12H13BrO/c13-11-3-1-2-8-9(11)4-5-12-10(8)6-7-14-12/h1-3,10,12H,4-7H2/t10-,12+/m1/s1 |
| InChIKey |
YBAWCVDJILQMII-PWSUYJOCSA-N |
| Instrument Name |
Restek Rt-betaDEXsm |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/anie.201609110 |
| Molecular Weight |
253.139 g/mol |
| Optical Rotation |
[a]D20 = +72.0 (c = 0.65, CHCl3) |
| Quality |
61 |
| SMILES |
C1=CC2=C(C(=C1)Br)CC[C@]1([C@@]2(CCO1)[H])[H] |
| SPLASH |
splash10-004i-0950000000-74714998d600e00f8093 |
| Sample Comments |
93% ee |
| Source of Spectrum |
ACI-55-SM22-2h (DOI: 10.1002/anie.201609110) |
| Wiley ID |
1899389 |
![(3aR*, 9bS*)-6-Bromo-1,2,3a,4,5,9b-hexahydronaphtho[2,1-b]furan](/api/spectrum/LJM6sewsDub/structure.png?h=300&w=458 "(3aR*, 9bS*)-6-Bromo-1,2,3a,4,5,9b-hexahydronaphtho[2,1-b]furan")
