| SpectraBase Compound ID | EUYsxKSmiZZ |
|---|---|
| InChI | InChI=1S/C12H16O4/c1-7-4-5-10(16-8(2)13)9-6-15-11(14)12(7,9)3/h4,9-10H,5-6H2,1-3H3/t9-,10-,12+/m1/s1 |
| InChIKey | KBJANSIQMHOLJO-FOGDFJRCSA-N |
| Mol Weight | 224.26 g/mol |
| Molecular Formula | C12H16O4 |
| Exact Mass | 224.104859 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GAIPdTviAe4 |
|---|---|
| Name | Acetic acid (3aR,4R,7aR)-7,7a-dimethyl-1-oxo-1,3,3a,4,5,7a-hexahydro-isobenzofuran-4-yl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H16O4 |
| InChI | InChI=1S/C12H16O4/c1-7-4-5-10(16-8(2)13)9-6-15-11(14)12(7,9)3/h4,9-10H,5-6H2,1-3H3/t9-,10-,12+/m1/s1 |
| InChIKey | KBJANSIQMHOLJO-FOGDFJRCSA-N |
| Molecular Weight | 224.256 g/mol |
| SMILES | [C@@]12([C@@]([C@](OC(=O)C)(CC=C2C)[H])(COC1=O)[H])C |
| SPLASH | splash10-0a4i-0900000000-8820e0068193a122d9bd |
| Source of Spectrum | U1-1998-2490-26 |
| Synonyms | (3aR,4R,7aR)-7,7a-dimethyl-1-oxo-1,3,3a,4,5,7a-hexahydro-2-benzofuran-4-yl acetate 7,7a-Dimethyl-1,3,3a,4,5,7a-hexahydro-4-isobenzofuranyl acetate Acetic acid[(3aR,4R,7aR)-1-keto-7,7a-dimethyl-3,3a,4,5-tetrahydroisobenzofuran-4-yl]ester Acetic acid[(3aR,4R,7aR)-7,7a-dimethyl-1-oxo-3,3a,4,5-tetrahydroisobenzofuran-4-yl]ester [(3aR,4R,7aR)-7,7a-dimethyl-1-oxidanylidene-3,3a,4,5-tetrahydro-2-benzofuran-4-yl]ethanoate [(3aR,4R,7aR)-7,7a-dimethyl-1-oxo-3,3a,4,5-tetrahydro-2-benzofuran-4-yl]acetate [(3aR,4R,7aR)-7,7a-dimethyl-1-oxo-3,3a,4,5-tetrahydroisobenzofuran-4-yl]acetate Acetic acid [(3aR,4R,7aR)-7,7a-dimethyl-1-oxo-3,3a,4,5-tetrahydroisobenzofuran-4-yl] ester [(3aR,4R,7aR)-7,7a-dimethyl-1-oxo-3,3a,4,5-tetrahydro-2-benzofuran-4-yl] acetate [(3aR,4R,7aR)-7,7a-dimethyl-1-oxo-3,3a,4,5-tetrahydroisobenzofuran-4-yl] acetate [(3aR,4R,7aR)-7,7a-dimethyl-1-oxidanylidene-3,3a,4,5-tetrahydro-2-benzofuran-4-yl] ethanoate |
| Wiley ID | 751973 |