| SpectraBase Spectrum ID |
9yvqmlpdrgP |
| Name |
(3R,4S,5R)-5-(fluoranylmethyl)-3,4-bis(oxidanyl)cyclohexene-1-carboxylic acid |
| Alternate Name(s) |
(3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-1-cyclohexenecarboxylic acid
(3R,4S,5R)-5-(fluoromethyl)-3,4-dihydroxy-cyclohexene-1-carboxylic acid |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C8H11FO4 |
| InChI |
InChI=1S/C8H11FO4/c9-3-5-1-4(8(12)13)2-6(10)7(5)11/h2,5-7,10-11H,1,3H2,(H,12,13)/t5-,6+,7-/m0/s1 |
| InChIKey |
TYAUHOZVHSJGEO-XVMARJQXSA-N |
| Molecular Weight |
190.170 g/mol |
| SMILES |
O[C@@]1(C=C(C[C@]([C@@]1(O)[H])(CF)[H])C(=O)O)[H] |
| SPLASH |
splash10-0002-9000000000-746c03b4ba9f247e6555 |
| Source of Spectrum |
F-48-8765-0 |
| Wiley ID |
1186154 |
