| SpectraBase Compound ID | 3vH41jauhQ0 |
|---|---|
| InChI | InChI=1S/C16H22O4/c1-4-10-11-6-7-12(15(19)20-5-2)16(11,3)14(18)9-8-13(10)17/h6,10,12H,4-5,7-9H2,1-3H3 |
| InChIKey | PLBWUOQEKKVGNV-UHFFFAOYSA-N |
| Mol Weight | 278.35 g/mol |
| Molecular Formula | C16H22O4 |
| Exact Mass | 278.151809 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 88fTfSgxVt2 |
|---|---|
| Name | 1-Azulenecarboxylic acid, 4-ethyl-1,2,4,5,6,7,8,8a-octahydro-8a-methyl-5,8-dioxo-, ethyl ester |
| CAS Registry Number | 117106-91-9 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C16H22O4 |
| InChI | InChI=1S/C16H22O4/c1-4-10-11-6-7-12(15(19)20-5-2)16(11,3)14(18)9-8-13(10)17/h6,10,12H,4-5,7-9H2,1-3H3 |
| InChIKey | PLBWUOQEKKVGNV-UHFFFAOYSA-N |
| Molecular Weight | 278.348 g/mol |
| SMILES | C1=2C(C(C(=O)OCC)CC2)(C(CCC(C1CC)=O)=O)C |
| SPLASH | splash10-0a4i-4910000000-cb1428be5859041af85d |
| Source of Spectrum | Va-0-0-0 |
| Synonyms | 10-ethoxycarbonyl-6-ethyl-1-methyl-bicyclo[5.3.0]dec-6-ene-2,5-dione 10-ethoxycarbonyl-6-ethyl-1-methyl-bicyclo[5.3.0]dec-7-ene-2,5-dione 4-Ethyl-1,2,3,5,6,7,8,8a-octahydro -8a-methyl-5,8-dioxo-1-azulene-carboxylic acid, ethyl ester 4-Ethyl-1,2,4,5,6,7,8,8a-octahydro -8a-methyl-5,8-dioxo-1-azulene-carboxylic acid, ethyl ester Ethyl 4-ethyl-8a-methyl-5,8-dioxo-1,2,4,5,6,7,8,8a-octahydro-1-azulenecarboxylate |
| Wiley ID | 743754 |