| SpectraBase Spectrum ID |
1RGqL0JSFc |
| Name |
(3aS,7aS)-3-acetyl-2,4,4-trimethyl-3a,5,7,7a-tetrahydrobenzofuran-6-one |
| Appearance |
Colorless liquid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.125594437 u |
| Formula |
C13H18O3 |
| GC Column |
HP-5MS (15 m x 0.25 mm) |
| InChI |
InChI=1S/C13H18O3/c1-7(14)11-8(2)16-10-5-9(15)6-13(3,4)12(10)11/h10,12H,5-6H2,1-4H3/t10-,12+/m0/s1 |
| InChIKey |
RXYFSTKTOCTTEQ-CMPLNLGQSA-N |
| Instrument Name |
Hewlett Packard Model 6890 GC-5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201505027 |
| Molecular Weight |
222.284 g/mol |
| Quality |
178 |
| SMILES |
[C@@]12([C@](OC(=C2C(=O)C)C)([H])CC(CC1(C)C)=O)[H] |
| SPLASH |
splash10-0a4r-3900000000-5de9eaaf6ad47372ae3d |
| Source of Spectrum |
QE-22-SM10-3j (DOI: 10.1002/chem.201505027) |
| Thin-Layer Chromatography |
0.35 (hexanes/EtOAc, 1:1) |
| Wiley ID |
1903654 |
