| SpectraBase Compound ID | 3GpqMNG7HGU |
|---|---|
| InChI | InChI=1S/C21H26O4/c1-14-16-10-5-6-11-17(16)21(13-7-12-20(14,21)19(23)24)25-18(22)15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,23,24)/t14-,16-,17+,20-,21-/m0/s1 |
| InChIKey | JQVVXLLYMCTHOS-PQSRSFJPSA-N |
| Mol Weight | 342.44 g/mol |
| Molecular Formula | C21H26O4 |
| Exact Mass | 342.183109 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | AUg79gq0TlW |
|---|---|
| Name | 9-(Benzoyloxy)-2-dodecane-1-carboxylic acid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C21H26O4 |
| InChI | InChI=1S/C21H26O4/c1-14-16-10-5-6-11-17(16)21(13-7-12-20(14,21)19(23)24)25-18(22)15-8-3-2-4-9-15/h2-4,8-9,14,16-17H,5-7,10-13H2,1H3,(H,23,24)/t14-,16-,17+,20-,21-/m0/s1 |
| InChIKey | JQVVXLLYMCTHOS-PQSRSFJPSA-N |
| Molecular Weight | 342.435 g/mol |
| SMILES | OC([C@@]12[C@@](OC(=O)c3ccccc3)([C@@]3(CCCC[C@]3([C@@]1(C)[H])[H])[H])CCC2)=O |
| SPLASH | splash10-0a6r-3910000000-ffa0d7aadd7da81438a5 |
| Source of Spectrum | D8-323-131-27 |
| Synonyms | 3a-(benzoyloxy)-8-methyldecahydrocyclopenta[a]indene-8a(1H)-carboxylic acid |
| Wiley ID | 1513557 |