| SpectraBase Spectrum ID |
4Y8Q4X04kW7 |
| Name |
(2R,3S,6S)-2-Formyl-3-methyl-2-(3'-propenyl)-6-isopropylcyclohexanone |
| Appearance |
Oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
222.161979946 u |
| Formula |
C14H22O2 |
| InChI |
InChI=1S/C14H22O2/c1-5-8-14(9-15)11(4)6-7-12(10(2)3)13(14)16/h5,9-12H,1,6-8H2,2-4H3/t11-,12-,14-/m0/s1 |
| InChIKey |
PDLDAXOOPYZTGB-OBJOEFQTSA-N |
| Instrument Name |
Finigan GCQ |
| Ionization Type |
EI |
| Literature Reference DOI |
10.3998/ark.5550190.0002.117 |
| Molecular Weight |
222.328 g/mol |
| Optical Rotation |
[a]D28 = +25.3 (c = 0.133, CH2Cl2) |
| Quality |
67 |
| Reported Formula |
C14H22O2 |
| SMILES |
[C@@]1([C@](CC[C@](C1=O)(C(C)C)[H])(C)[H])(CC=C)C=O |
| SPLASH |
splash10-07vi-9400000000-fd860cc5f44388022cf3 |
| Source of Spectrum |
ARK-2001-273-2 (DOI: 10.3998/ark.5550190.0002.117) |
| Wiley ID |
1908662 |
