| SpectraBase Spectrum ID |
KcxAuFgJlyj |
| Name |
(1S,3aR,4S,5S,7aR)-1-ethyl-3-keto-5-methyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C12H16O4 |
| InChI |
InChI=1S/C12H16O4/c1-3-8-7-5-4-6(2)9(11(13)14)10(7)12(15)16-8/h4-10H,3H2,1-2H3,(H,13,14)/t6-,7-,8-,9-,10+/m0/s1 |
| InChIKey |
WEYYEVKQVYISDO-BQHMLIOBSA-N |
| Molecular Weight |
224.256 g/mol |
| SMILES |
OC([C@@]1([C@@]2(C(O[C@@](CC)([C@@]2(C=C[C@@]1(C)[H])[H])[H])=O)[H])[H])=O |
| SPLASH |
splash10-00mx-9700000000-c5e5022f3bbb56d87698 |
| Source of Spectrum |
F-53-1008-12 |
| Synonyms |
(1S,3aR,4S,5S,7aR)-1-ethyl-5-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylic acid
(1S,3aR,4S,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylic acid
(1S,3aR,4S,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid |
| Wiley ID |
800178 |
