| SpectraBase Spectrum ID |
38a1JPb7UE2 |
| Name |
(1'S*,6'S*)-4-Hydroxy-6'-isopropyl-3'-methyl-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione |
| Appearance |
Yellow oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H20O3 |
| InChI |
InChI=1S/C16H20O3/c1-9(2)11-5-4-10(3)6-12(11)13-7-15(18)16(19)8-14(13)17/h6-9,11-12,19H,4-5H2,1-3H3/t11-,12+/m0/s1 |
| InChIKey |
RYYINLWBFFZQDL-NWDGAFQWSA-N |
| Instrument Name |
Fisons VG70-SE or Thermo Finnigan MAT900xp |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/cmdc.201900548 |
| Molecular Weight |
260.333 g/mol |
| Reported Formula |
C16H20O3 |
| SMILES |
OC1=CC(C(=CC1=O)[C@@]1(C=C(CC[C@]1(C(C)C)[H])C)[H])=O |
| SPLASH |
splash10-02t9-0490000000-bcc34d813b9bec07c8cf |
| Source of Spectrum |
CMC-15-SM30-9j |
| Wiley ID |
1839973 |
![(1'S*,6'S*)-4-Hydroxy-6'-isopropyl-3'-methyl-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione](/api/spectrum/38a1JPb7UE2/structure.png?h=300&w=458 "(1'S*,6'S*)-4-Hydroxy-6'-isopropyl-3'-methyl-[1,1'-bi(cyclohexane)]-2',3,6-triene-2,5-dione")
