| SpectraBase Spectrum ID |
Eyk4VE7A3cM |
| Name |
Methyl 3.alpha.,4.apha.-Dihydroxy-5.beta.(difluoromethyl)cyclohex-1-ene-1-carboxylate |
| Alternate Name(s) |
methyl (3S,4R,5S)-5-(difluoromethyl)-3,4-dihydroxy-1-cyclohexene-1-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H12F2O4 |
| InChI |
InChI=1S/C9H12F2O4/c1-15-9(14)4-2-5(8(10)11)7(13)6(12)3-4/h3,5-8,12-13H,2H2,1H3/t5-,6-,7+/m0/s1 |
| InChIKey |
KWLZQUPUMQYEOG-LYFYHCNISA-N |
| Molecular Weight |
222.188 g/mol |
| SMILES |
O[C@@]1([C@](CC(=C[C@@]1(O)[H])C(=O)OC)(C(F)F)[H])[H] |
| SPLASH |
splash10-0002-9000000000-fe2482fa0e64e1e18511 |
| Source of Spectrum |
F-48-8767-0 |
| Wiley ID |
1221781 |
