| SpectraBase Spectrum ID |
347wixb6ae |
| Name |
(3aS,4aS,8aS)-hexahydro-1H-benzo[1,4]cyclobuta[1,2-c]furan-5(6H)-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
166.099379689 u |
| Formula |
C10H14O2 |
| InChI |
InChI=1S/C10H14O2/c11-9-2-1-3-10-6-12-5-7(10)4-8(9)10/h7-8H,1-6H2/t7-,8-,10+/m1/s1 |
| InChIKey |
UNTCRQTXQIOYSA-MRTMQBJTSA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201901304 |
| Molecular Weight |
166.220 g/mol |
| Optical Rotation |
[a]D26= +138 (c = 1.4, CH2Cl2) |
| Quality |
384 |
| Reported Formula |
C10H14O2 |
| SMILES |
C1C([C@@]2([C@]3(CC1)[C@](C2)(COC3)[H])[H])=O |
| SPLASH |
splash10-0331-9500000000-ca29b624cdeba0c52641 |
| Sample Comments |
82% ee |
| Source of Spectrum |
QE-25-8143-6c (DOI: 10.1002/chem.201901304) |
| Thin-Layer Chromatography |
0.31 (pentane/Et2O, 1:1) |
| Wiley ID |
1893713 |
![(3aS,4aS,8aS)-hexahydro-1H-benzo[1,4]cyclobuta[1,2-c]furan-5(6H)-one](/api/spectrum/347wixb6ae/structure.png?h=300&w=458 "(3aS,4aS,8aS)-hexahydro-1H-benzo[1,4]cyclobuta[1,2-c]furan-5(6H)-one")
