| SpectraBase Spectrum ID |
8yso0eEXDJE |
| Name |
(1R,2S.5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-Hydroxy-.alpha.-(4-iodophenyl)benzeneacetate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C24H27IO3 |
| InChI |
InChI=1S/C24H27IO3/c1-16-9-14-20(24(2,3)18-7-5-4-6-8-18)21(15-16)28-23(27)22(26)17-10-12-19(25)13-11-17/h4-8,10-13,16,20-21H,9,14-15H2,1-3H3/t16-,20-,21-/m1/s1 |
| InChIKey |
IFEGQOYKBIRUSX-MAODMQOUSA-N |
| Molecular Weight |
490.381 g/mol |
| SMILES |
C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])(C(c1ccc(cc1)I)=O)=O |
| SPLASH |
splash10-014i-0900000000-4cedfcac3efd2ff133fe |
| Source of Spectrum |
QC-4-2196-19 |
| Wiley ID |
883447 |
