| SpectraBase Spectrum ID |
72OOghmoKgH |
| Name |
Cyclohexaneacetic acid, 2-[2-hydroxy-4-(1-methylethyl)phenyl]-2,6-dimethyl-6-(methyl-D3)-, methyl ester, [1S-(1.alpha.,2.beta.,6.beta.)]- |
| CAS Registry Number |
79936-77-9 |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H29D3O3 |
| InChI |
InChI=1S/C21H32O3/c1-14(2)15-8-9-16(17(22)12-15)21(5)11-7-10-20(3,4)18(21)13-19(23)24-6/h8-9,12,14,18,22H,7,10-11,13H2,1-6H3/t18-,21-/m0/s1/i3D3/t18-,20-,21- |
| InChIKey |
NOIZWXMMBNXGPR-RYTSSGQDSA-N |
| Molecular Weight |
335.502 g/mol |
| SMILES |
Oc1c([C@]2([C@]([C@](C)(C([2D])([2D])[2D])CCC2)(CC(=O)OC)[H])C)ccc(C(C)C)c1 |
| SPLASH |
splash10-03di-0944000000-c7fa5a14a1b13a9dd417 |
| Source of Spectrum |
H-64-1276-0 |
| Synonyms |
Methyl ester of 2-[1's,2'S,6'R)-2',6'-dimethyl-2'-(2'-hydroxy-4''-isopropyl)phenyl-6'-trideuteriomethyl-cyclohexyl]-acetic acid
Methyl ester of 2-[1'S,2'S,6'R)-2',6'-Dimethyl-2'-(2'-hydroxy-4''-isopropyl)phenyl-6'-trideuteriomethyl-cyclohexyl]-acetic acid |
| Wiley ID |
114509 |
![Cyclohexaneacetic acid, 2-[2-hydroxy-4-(1-methylethyl)phenyl]-2,6-dimethyl-6-(methyl-D3)-, methyl ester, [1S-(1.alpha.,2.beta.,6.beta.)]-](/api/spectrum/72OOghmoKgH/structure.png?h=300&w=458 "Cyclohexaneacetic acid, 2-[2-hydroxy-4-(1-methylethyl)phenyl]-2,6-dimethyl-6-(methyl-D3)-, methyl ester, [1S-(1.alpha.,2.beta.,6.beta.)]-")
