| SpectraBase Spectrum ID |
7wOujQEhzBJ |
| Name |
Benzeneacetic acid, .alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(S*),2.beta.,5.alpha.]]- |
| CAS Registry Number |
113322-86-4 |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H28O4 |
| InChI |
InChI=1S/C19H28O4/c1-12(2)14-10-9-13(3)11-17(14)23-18(21)19(4,22)15-7-5-6-8-16(15)20/h5-8,12-14,17,20,22H,9-11H2,1-4H3/t13-,14+,17-,19-/m0/s1 |
| InChIKey |
NAILHKJJEOYQNE-CSHUHZATSA-N |
| Molecular Weight |
320.429 g/mol |
| SMILES |
Oc1c([C@@](C(O[C@@]2([C@](CC[C@@](C2)(C)[H])(C(C)C)[H])[H])=O)(O)C)cccc1 |
| SPLASH |
splash10-000i-0900000000-833d3b5b516bd26f2d67 |
| Source of Spectrum |
J-53-1784-5 |
| Synonyms |
(1S,2R,5S)-2-isopropyl-5-methylcyclohexyl (2S)-2-hydroxy-2-(2-hydroxyphenyl)propanoate |
| Wiley ID |
1320281 |
![Benzeneacetic acid, .alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(S*),2.beta.,5.alpha.]]-](/api/spectrum/7wOujQEhzBJ/structure.png?h=300&w=458 "Benzeneacetic acid, .alpha.,2-dihydroxy-.alpha.-methyl-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-[1.alpha.(S*),2.beta.,5.alpha.]]-")
