| SpectraBase Spectrum ID |
783EcVDSJfA |
| Name |
4-((1S,2S)-2-hydroxy-2,6,6-trimethylcyclohexyl)butan-2-yl acetate |
| Appearance |
Colourless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H28O3 |
| InChI |
InChI=1S/C15H28O3/c1-11(18-12(2)16)7-8-13-14(3,4)9-6-10-15(13,5)17/h11,13,17H,6-10H2,1-5H3/t11?,13-,15-/m0/s1 |
| InChIKey |
AJDRQYFBOWMCKA-MONRWBKMSA-N |
| Instrument Name |
Agilent 8890 GC-5977B MSD |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/anie.202108037 |
| Molecular Weight |
256.386 g/mol |
| Optical Rotation |
[a]D = +2.6 (c = 0.98, CHCl3) |
| SMILES |
O[C@@]1([C@](C(CCC1)(C)C)(CCC(C)OC(C)=O)[H])C |
| SPLASH |
splash10-052f-9400000000-81a70142066903ae3469 |
| Sample Comments |
Mixture of diastereomers |
| Source of Spectrum |
ACI-60-SM5-15 |
| Wiley ID |
1882710 |
