| SpectraBase Spectrum ID |
JSsjV7Kdk3F |
| Name |
(3aR*, 9bS*)-1,2,3a,4,5,9b-Hexahydro-6,7,8,9-tetradeuterionaphtho[2,1-b]furan |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
178.129572053 u |
| Formula |
C12H10D4O |
| GC Column |
(25 m ?? 0.25 mm, film thickness 0.25 micrometer) |
| GC Oven Program |
Oven temp 140 oC |
| InChI |
InChI=1S/C12H14O/c1-2-4-10-9(3-1)5-6-12-11(10)7-8-13-12/h1-4,11-12H,5-8H2/t11-,12+/m1/s1/i1D,2D,3D,4D |
| InChIKey |
PJYYCHBDADIBFF-RDMWXRBCSA-N |
| Instrument Name |
Chirasil-DEX-CB |
| Ionization Type |
EI positive ion |
| Literature Reference DOI |
10.1002/anie.201609110 |
| Molecular Weight |
178.267 g/mol |
| Optical Rotation |
[a]D20 = +112.1 (c = 0.63, CHCl3) |
| Quality |
21 |
| SMILES |
C1(=C(C2=C(C(=C1[D])[D])CC[C@]1([C@@]2(CCO1)[H])[H])[D])[D] |
| SPLASH |
splash10-001i-0900000000-d92724c46c9af3d8c764 |
| Sample Comments |
88% ee |
| Source of Spectrum |
ACI-55-SM23-2i (DOI: 10.1002/anie.201609110) |
| Wiley ID |
1899390 |
![(3aR*, 9bS*)-1,2,3a,4,5,9b-Hexahydro-6,7,8,9-tetradeuterionaphtho[2,1-b]furan](/api/spectrum/JSsjV7Kdk3F/structure.png?h=300&w=458 "(3aR*, 9bS*)-1,2,3a,4,5,9b-Hexahydro-6,7,8,9-tetradeuterionaphtho[2,1-b]furan")
