| SpectraBase Compound ID | ETeI1PrQIH5 |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-3-9-7-11-10(5-6-13(11)15)12(8-9)14(16)17-4-2/h8-11H,3-7H2,1-2H3/t9-,10+,11+/m1/s1 |
| InChIKey | BOASRUCRIQNJSE-VWYCJHECSA-N |
| Mol Weight | 236.31 g/mol |
| Molecular Formula | C14H20O3 |
| Exact Mass | 236.141245 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3mqNRA72zOS |
|---|---|
| Name | (3aS,6R,7aS)-6-ethyl-1-keto-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid ethyl ester |
| Alternate Name(s) | Ethyl (3aS*,6R*,7aS*)-6-Ethyl-2,3,3a,6,7,7a-hexahydro-1-oxo-1H-indene-4-carboxylate ((+-)-Coronafacic acid ethyl ester) (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylic acid ethyl ester ethyl (3aS,6R,7aS)-6-ethyl-1-oxidanylidene-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate ethyl (3aS,6R,7aS)-6-ethyl-1-oxo-2,3,3a,6,7,7a-hexahydroindene-4-carboxylate |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-3-9-7-11-10(5-6-13(11)15)12(8-9)14(16)17-4-2/h8-11H,3-7H2,1-2H3/t9-,10+,11+/m1/s1 |
| InChIKey | BOASRUCRIQNJSE-VWYCJHECSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | C=1([C@@]2([C@@](C(=O)CC2)(C[C@](C1)(CC)[H])[H])[H])C(=O)OCC |
| SPLASH | splash10-014r-0980000000-f8c9030a8c682d3e9163 |
| Source of Spectrum | F-53-9517-5 |
| Wiley ID | 802875 |