| SpectraBase Spectrum ID |
5jW0dKNsAlw |
| Name |
(1R*,2S*,3R*)-2-(3,5-Dimethyl-4-hydroxyphenyl)-3-methyl-6-oxocyclohexanecarboxylic acid methyl ester |
| Alternate Name(s) |
methyl (1R,2S,3R)-2-(4-hydroxy-3,5-dimethylphenyl)-3-methyl-6-oxocyclohexanecarboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C17H22O4 |
| InChI |
InChI=1S/C17H22O4/c1-9-5-6-13(18)15(17(20)21-4)14(9)12-7-10(2)16(19)11(3)8-12/h7-9,14-15,19H,5-6H2,1-4H3/t9-,14-,15+/m1/s1 |
| InChIKey |
SXHVHAXZGQOHQE-ZWZTZDBGSA-N |
| Molecular Weight |
290.359 g/mol |
| SMILES |
Oc1c(cc([C@@]2([C@@](C(=O)OC)(C(CC[C@]2(C)[H])=O)[H])[H])cc1C)C |
| SPLASH |
splash10-0006-0090000000-ff25636881570d86d13e |
| Source of Spectrum |
J-59-6337-70 |
| Wiley ID |
1293775 |
