| SpectraBase Spectrum ID |
4gnPCBlvc3p |
| Name |
(3aS,4S,7aS)-3-acetyl-2,4-dimethyl-4,5,7,7a-tetrahydro-3aH-benzofuran-6-one |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
208.109944372 u |
| Formula |
C12H16O3 |
| GC Column |
HP-5MS (15 m x 0.25 mm) |
| InChI |
InChI=1S/C12H16O3/c1-6-4-9(14)5-10-11(6)12(7(2)13)8(3)15-10/h6,10-11H,4-5H2,1-3H3/t6-,10-,11+/m0/s1 |
| InChIKey |
NFUBOWVCGZXMLV-NRZXQICZSA-N |
| Instrument Name |
Hewlett Packard Model 6890 GC-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201505027 |
| Molecular Weight |
208.257 g/mol |
| Quality |
254 |
| SMILES |
[C@@]12([C@](OC(=C2C(=O)C)C)([H])CC(C[C@@]1(C)[H])=O)[H] |
| SPLASH |
splash10-0ab9-4910000000-9289bc8bd261d48f5f19 |
| Sample Comments |
Mixture of diastereomers = (>20:1) |
| Source of Spectrum |
QE-22-SM9-3i (DOI: 10.1002/chem.201505027) |
| Thin-Layer Chromatography |
0.35 (hexanes/EtOAc, 1:2) |
| Wiley ID |
1903653 |
