| SpectraBase Spectrum ID |
BGtD8Jrayju |
| Name |
(3aR,7R,7aS)-7-(fluoromethyl)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylic acid methyl ester |
| Alternate Name(s) |
methyl (3aR,7R,7aS)-7-(fluoranylmethyl)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate
methyl (3aR,7R,7aS)-7-(fluoromethyl)-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxole-5-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H17FO4 |
| InChI |
InChI=1S/C12H17FO4/c1-12(2)16-9-5-7(11(14)15-3)4-8(6-13)10(9)17-12/h5,8-10H,4,6H2,1-3H3/t8-,9+,10-/m0/s1 |
| InChIKey |
GOPIVJXIHZXJMK-AEJSXWLSSA-N |
| Molecular Weight |
244.262 g/mol |
| SMILES |
C1(=C[C@]2(OC(C)(C)O[C@]2([C@@](C1)(CF)[H])[H])[H])C(=O)OC |
| SPLASH |
splash10-004i-0090000000-e9f2441d8c7f88f68f9b |
| Source of Spectrum |
F-48-8764-0 |
| Wiley ID |
1246772 |
