| SpectraBase Compound ID | 2h5kkUTGjga |
|---|---|
| InChI | InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1 |
| InChIKey | XYYAFLHHHZVPRN-GXTWGEPZSA-N |
| Mol Weight | 232.28 g/mol |
| Molecular Formula | C14H16O3 |
| Exact Mass | 232.109944 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | G2L8s23xqRZ |
|---|---|
| Name | Fraxinellone |
| Alternate Name(s) | (3R,3aR)-3-(3-furanyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one (3R,3aR)-3-(3-furyl)-3a,7-dimethyl-3,4,5,6-tetrahydroisobenzofuran-1-one (3R,3aR)-3-(furan-3-yl)-3a,7-dimethyl-3,4,5,6-tetrahydro-2-benzofuran-1-one 1(3H)-isobenzofuranone, 3-(3-furanyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl-, (3R-cis)- Phthalide, 3-(3-furyl)-3a,4,5,6-tetrahydro-3a,7-dimethyl- |
| CAS Registry Number | 28808-62-0 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H16O3 |
| InChI | InChI=1S/C14H16O3/c1-9-4-3-6-14(2)11(9)13(15)17-12(14)10-5-7-16-8-10/h5,7-8,12H,3-4,6H2,1-2H3/t12-,14+/m0/s1 |
| InChIKey | XYYAFLHHHZVPRN-GXTWGEPZSA-N |
| Molecular Weight | 232.279 g/mol |
| SMILES | [C@@]12(C(C(=O)O[C@]2(c2cocc2)[H])=C(C)CCC1)C |
| SPLASH | splash10-000i-5910000000-1377afceab1dfe241d57 |
| Source of Spectrum | AH-96-1326-1 |
| Wiley ID | 1233937 |