![3,5a-Dimethyl-5-(formylmethyl)-6-[1'-methoxycarbonyl)ethenyl]-perhydrobenzofuran-2-one](/api/spectrum/5FjMDhauWPx/structure.png?h=300&w=458 "3,5a-Dimethyl-5-(formylmethyl)-6-[1'-methoxycarbonyl)ethenyl]-perhydrobenzofuran-2-one")
| SpectraBase Compound ID | DpAd59Bnmev |
|---|---|
| InChI | InChI=1S/C16H22O5/c1-9-11-5-6-16(3,7-8-17)12(10(2)14(18)20-4)13(11)21-15(9)19/h8-9,11,13H,5-7H2,1-4H3/b12-10-/t9-,11-,13-,16-/m0/s1 |
| InChIKey | ZCUBRJIJCBWZST-VTAUPFHTSA-N |
| Mol Weight | 294.35 g/mol |
| Molecular Formula | C16H22O5 |
| Exact Mass | 294.146724 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5FjMDhauWPx |
|---|---|
| Name | 3,5a-Dimethyl-5-(formylmethyl)-6-[1'-methoxycarbonyl)ethenyl]-perhydrobenzofuran-2-one |
| Alternate Name(s) | 2-[(3S,3aS,6S,7aS)-3,6-Dimethyl-2-oxo-6-(2-oxo-ethyl)-hexahydro-benzofuran-(7E)-ylidene]-propionic acid methyl ester (2E)-2-[(3S,3aS,6S,7aS)-3,6-dimethyl-2-oxo-6-(2-oxoethyl)-3a,4,5,7a-tetrahydro-3H-benzofuran-7-ylidene]propanoic acid methyl ester Methyl (2E)-2-[(3S,3aS,6S,7aS)-3,6-dimethyl-2-oxo-6-(2-oxoethyl)-3a,4,5,7a-tetrahydro-3H-1-benzofuran-7-ylidene]propanoate Methyl (2E)-2-[(3S,3aS,6S,7aS)-3,6-dimethyl-2-oxo-6-(2-oxoethyl)-3a,4,5,7a-tetrahydro-3H-benzofuran-7-ylidene]propanoate Methyl (2E)-2-[(3S,3aS,6S,7aS)-3,6-dimethyl-2-oxidanylidene-6-(2-oxidanylideneethyl)-3a,4,5,7a-tetrahydro-3H-1-benzofuran-7-ylidene]propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H22O5 |
| InChI | InChI=1S/C16H22O5/c1-9-11-5-6-16(3,7-8-17)12(10(2)14(18)20-4)13(11)21-15(9)19/h8-9,11,13H,5-7H2,1-4H3/b12-10-/t9-,11-,13-,16-/m0/s1 |
| InChIKey | ZCUBRJIJCBWZST-VTAUPFHTSA-N |
| Molecular Weight | 294.347 g/mol |
| SMILES | [C@@]12(\C(=C\(C(=O)OC)C)[C@@](CC[C@]2([C@](C)(C(O1)=O)[H])[H])(CC=O)C)[H] |
| SPLASH | splash10-03g0-0090000000-a9e682dc26eb43f4d01b |
| Source of Spectrum | K1-2000-2148-9 |
| Wiley ID | 750372 |