| SpectraBase Spectrum ID |
4oeFGv70VCC |
| Name |
(3aS,4aS,8aR)-3a-methylhexahydro-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 |
180.115029753 u |
| Formula |
C11H16O2 |
| InChI |
InChI=1S/C11H16O2/c1-10-5-8-9(12)3-2-4-11(8,10)7-13-6-10/h8H,2-7H2,1H3/t8-,10-,11-/m1/s1 |
| InChIKey |
ZVNZQSDRGMEUID-FBIMIBRVSA-N |
| Instrument Name |
Thermo Scientific DFS |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201901304 |
| Molecular Weight |
180.247 g/mol |
| Optical Rotation |
[a]D26 = +142 (c = 1.5, CH2Cl2) |
| Quality |
269 |
| Reported Formula |
C11H16O2 |
| SMILES |
C1C([C@@]2([C@]3(CC1)[C@](C2)(COC3)C)[H])=O |
| SPLASH |
splash10-0a4i-9600000000-090ea6a33421e80821e6 |
| Source of Spectrum |
QE-25-8144-6h (DOI: 10.1002/chem.201901304) |
| Thin-Layer Chromatography |
0.37 (pentane/Et2O, 1:1) |
| Wiley ID |
1893715 |
![(3aS,4aS,8aR)-3a-methylhexahydro-1H-benzo[1,4]cyclobuta[1,2-c]furan-5(6H)-one](/api/spectrum/4oeFGv70VCC/structure.png?h=300&w=458 "(3aS,4aS,8aR)-3a-methylhexahydro-1H-benzo[1,4]cyclobuta[1,2-c]furan-5(6H)-one")
