| SpectraBase Spectrum ID |
CglwwaCzJp0 |
| Name |
(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-hydroxy-.alpha.-(4-[2-fluoroethyl]phenyl)benzeneacetic acid ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C32H37FO3 |
| InChI |
InChI=1S/C32H37FO3/c1-23-14-19-28(31(2,3)25-10-6-4-7-11-25)29(22-23)36-30(34)32(35,26-12-8-5-9-13-26)27-17-15-24(16-18-27)20-21-33/h4-13,15-18,23,28-29,35H,14,19-22H2,1-3H3/t23-,28-,29-,32-/m1/s1 |
| InChIKey |
KYAIRSVCGWMAMP-CGAVVAMDSA-N |
| Molecular Weight |
488.643 g/mol |
| SMILES |
O[C@@](C(O[C@]1([C@](C(c2ccccc2)(C)C)(CC[C@](C1)(C)[H])[H])[H])=O)(c1ccc(cc1)CCF)c1ccccc1 |
| SPLASH |
splash10-004i-0090000000-b312d281e15267f5e019 |
| Source of Spectrum |
QC-4-2195-15 |
| Wiley ID |
883449 |
![(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-hydroxy-.alpha.-(4-[2-fluoroethyl]phenyl)benzeneacetic acid ester](/api/spectrum/CglwwaCzJp0/structure.png?h=300&w=458 "(1R,2S,5R)-5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (R)-.alpha.-hydroxy-.alpha.-(4-[2-fluoroethyl]phenyl)benzeneacetic acid ester")
