| SpectraBase Compound ID | 8Y14vaueoam |
|---|---|
| InChI | InChI=1S/C14H20O3/c1-8-3-5-12-9(2)13(16)17-14(12)7-10(15)4-6-11(8)14/h8-9,11-12H,3-7H2,1-2H3/t8-,9-,11+,12+,14+/m1/s1 |
| InChIKey | BUSRGUIGAAKCLL-QLNMZLMLSA-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 | LnLFtNdpUAh |
|---|---|
| Name | 5,13-Dimethyl-11-oxatricyclo[4.4.0.3(1,2)]tridecane-9,12-dione isomer |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C14H20O3 |
| InChI | InChI=1S/C14H20O3/c1-8-3-5-12-9(2)13(16)17-14(12)7-10(15)4-6-11(8)14/h8-9,11-12H,3-7H2,1-2H3/t8-,9-,11+,12+,14+/m1/s1 |
| InChIKey | BUSRGUIGAAKCLL-QLNMZLMLSA-N |
| Molecular Weight | 236.311 g/mol |
| SMILES | [C@@]123OC(=O)[C@@]([C@@]3(CC[C@]([C@@]1(CCC(C2)=O)[H])(C)[H])[H])(C)[H] |
| SPLASH | splash10-0bwi-0980000000-c681527c1dc5665e6b47 |
| Source of Spectrum | KC-57-8489-6 |
| Synonyms | (3R,3aS,6R,6aS,10aS)-3,6-Dimethyl-octahydro-1-oxa-cyclopenta[d]naphthalene-2,9-dione 3,6-Dimethyloctahydro-2H-naphtho[8a,1-b]furan-2,9(10H)-dione 7,11-Dimethyl-13-oxatricyclo[8.3.0.0(1,6)]tridecane-3,12-dione (3R,3aS,6R,6aS,10aS)-3,6-dimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h]benzofuran-2,9-dione (3R,3aS,6R,6aS,10aS)-3,6-dimethyl-3a,4,5,6,6a,7,8,10-octahydro-3H-benzo[h][1]benzofuran-2,9-dione |
| Wiley ID | 1626128 |