| SpectraBase Spectrum ID |
JjIfKi2hREw |
| Name |
(3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-1-cyclohexenecarboxylic acid methyl ester |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C9H13FO4 |
| InChI |
InChI=1S/C9H13FO4/c1-14-9(13)5-2-6(4-10)8(12)7(11)3-5/h3,6-8,11-12H,2,4H2,1H3/t6-,7+,8-/m0/s1 |
| InChIKey |
VODFHHCPLOJSQR-RNJXMRFFSA-N |
| Molecular Weight |
204.197 g/mol |
| SMILES |
O[C@@]1(C=C(C[C@]([C@@]1(O)[H])(CF)[H])C(=O)OC)[H] |
| SPLASH |
splash10-0002-9000000000-feb93c0f5d226203dd8d |
| Source of Spectrum |
F-48-8765-0 |
| Synonyms |
(3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-cyclohexene-1-carboxylic acid methyl ester
methyl (3R,4S,5R)-5-(fluoranylmethyl)-3,4-bis(oxidanyl)cyclohexene-1-carboxylate
methyl (3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-cyclohexene-1-carboxylate |
| Wiley ID |
1201370 |
