![2-[(3aR,5S,8aS)-4-keto-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-5-yl]acrylic acid ethyl ester](/api/spectrum/LCpjZWKzq3E/structure.png?h=300&w=458 "2-[(3aR,5S,8aS)-4-keto-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-5-yl]acrylic acid ethyl ester")
| SpectraBase Compound ID | 9PfBuSuCwrW |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-3-18-15(17)10(2)12-8-4-6-11-7-5-9-13(11)14(12)16/h11-13H,2-9H2,1H3/t11-,12+,13-/m1/s1 |
| InChIKey | ACQLBKRAVCNVBV-FRRDWIJNSA-N |
| Mol Weight | 250.34 g/mol |
| Molecular Formula | C15H22O3 |
| Exact Mass | 250.156895 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LCpjZWKzq3E |
|---|---|
| Name | 2-[(3aR,5S,8aS)-4-keto-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-5-yl]acrylic acid ethyl ester |
| Alternate Name(s) | 2-[(3aR,5S,8aS)-4-oxo-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-5-yl]-2-propenoic acid ethyl ester Ethyl 2-[(3aR,5S,8aS)-4-oxidanylidene-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-5-yl]prop-2-enoate Ethyl 2-[(3aR,5S,8aS)-4-oxo-2,3,3a,5,6,7,8,8a-octahydro-1H-azulen-5-yl]prop-2-enoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-3-18-15(17)10(2)12-8-4-6-11-7-5-9-13(11)14(12)16/h11-13H,2-9H2,1H3/t11-,12+,13-/m1/s1 |
| InChIKey | ACQLBKRAVCNVBV-FRRDWIJNSA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C1([C@](C(C(=O)OCC)=C)(CCC[C@]2([C@]1(CCC2)[H])[H])[H])=O |
| SPLASH | splash10-014j-9210000000-71c371c4a7f5aa5099ff |
| Source of Spectrum | AJ-74-1960-32 |
| Wiley ID | 1576868 |