| SpectraBase Spectrum ID |
DGJKu7oFNoP |
| Name |
(4aR,7R,8aS)-7-Acetyl-4a-hydroxyoctahydronaphthalen-1(2H)-one |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
210.125594437 u |
| Formula |
C12H18O3 |
| GC Column |
HP5-MS |
| InChI |
InChI=1S/C12H18O3/c1-8(13)9-4-6-12(15)5-2-3-11(14)10(12)7-9/h9-10,15H,2-7H2,1H3/t9-,10-,12-/m1/s1 |
| InChIKey |
QWXJAEZTIHUBOZ-CKYFFXLPSA-N |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202103049 |
| Molecular Weight |
210.273 g/mol |
| Optical Rotation |
[a]D25 = +5.0 (c = 0.16, CH2Cl2) |
| Quality |
465 |
| Reported Formula |
C12H18O3 |
| SMILES |
O[C@@]12CC[C@@](C(C)=O)(C[C@@]2(C(CCC1)=O)[H])[H] |
| SPLASH |
splash10-000f-6900000000-0398887ee3ce5a7fe88f |
| Source of Spectrum |
QE-27-SM46-28 (DOI: 10.1002/chem.202103049) |
| Thin-Layer Chromatography |
0.33 (Et2O, 100%) |
| Wiley ID |
1904267 |
