![5-Methyl-1(8a)-dehydro-8-[1-(methoxycarbonyl)ethyl]decalin-2-one isomer](/api/spectrum/JJpnj3nDSol/structure.png?h=300&w=458 "5-Methyl-1(8a)-dehydro-8-[1-(methoxycarbonyl)ethyl]decalin-2-one isomer")
| SpectraBase Compound ID | 8qCrvN7X8qZ |
|---|---|
| InChI | InChI=1S/C15H22O3/c1-9-4-6-13(10(2)15(17)18-3)14-8-11(16)5-7-12(9)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12+,13-/m1/s1 |
| InChIKey | ULMIEIDEVSOMQF-VCDKRKBESA-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 | JJpnj3nDSol |
|---|---|
| Name | 5-Methyl-1(8a)-dehydro-8-[1-(methoxycarbonyl)ethyl]decalin-2-one isomer |
| Alternate Name(s) | (R)-2-((1R,4R,4aS)-4-Methyl-7-oxo-1,2,3,4,4a,5,6,7-octahydro-naphthalen-1-yl)-propionic acid methyl ester (2R)-2-[(1R,4R,4aS)-4-methyl-7-oxo-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoic acid methyl ester Methyl (2R)-2-[(1R,4R,4aS)-4-methyl-7-oxo-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoate Methyl (2R)-2-[(1R,4R,4aS)-4-methyl-7-oxidanylidene-2,3,4,4a,5,6-hexahydro-1H-naphthalen-1-yl]propanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C15H22O3 |
| InChI | InChI=1S/C15H22O3/c1-9-4-6-13(10(2)15(17)18-3)14-8-11(16)5-7-12(9)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10-,12+,13-/m1/s1 |
| InChIKey | ULMIEIDEVSOMQF-VCDKRKBESA-N |
| Molecular Weight | 250.338 g/mol |
| SMILES | C=12[C@@]([C@](C(=O)OC)(C)[H])(CC[C@]([C@@]2(CCC(C1)=O)[H])(C)[H])[H] |
| SPLASH | splash10-03di-0910000000-512f2ad5ca6dfbb92287 |
| Source of Spectrum | KC-0-3440-14 |
| Wiley ID | 823921 |