SpectraBase Compound ID | G0YTNvsJ40p |
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InChI | InChI=1S/C14H20O4/c1-4-10-9-7-6-8(3)11(13(15)17-5-2)12(9)14(16)18-10/h6-12H,4-5H2,1-3H3/t8-,9-,10-,11+,12+/m0/s1 |
InChIKey | BUSDCRSHQKPZMF-KKJSVHSVSA-N |
Mol Weight | 252.31 g/mol |
Molecular Formula | C14H20O4 |
Exact Mass | 252.136159 g/mol |
SpectraBase Spectrum ID | 4GN3xO2o9lk |
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Name | (1S,3aR,4R,5S,7aR)-1-ethyl-3-keto-5-methyl-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester |
Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
Formula | C14H20O4 |
InChI | InChI=1S/C14H20O4/c1-4-10-9-7-6-8(3)11(13(15)17-5-2)12(9)14(16)18-10/h6-12H,4-5H2,1-3H3/t8-,9-,10-,11+,12+/m0/s1 |
InChIKey | BUSDCRSHQKPZMF-KKJSVHSVSA-N |
Molecular Weight | 252.310 g/mol |
SMILES | C1([C@@]2([C@](C=C[C@@]([C@]2(C(=O)OCC)[H])(C)[H])([H])[C@@](O1)(CC)[H])[H])=O |
SPLASH | splash10-01r6-6910000000-0d70d82df6d171ef3d83 |
Source of Spectrum | F-53-1012-21 |
Synonyms | (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylic acid ethyl ester Ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxidanylidene-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-2-benzofuran-4-carboxylate Ethyl (1S,3aR,4R,5S,7aR)-1-ethyl-5-methyl-3-oxo-3a,4,5,7a-tetrahydro-1H-isobenzofuran-4-carboxylate |
Wiley ID | 800166 |