| SpectraBase Compound ID | 53AGvjQiYB9 |
|---|---|
| InChI | InChI=1S/C24H29ClO4/c1-15-9-11-19(24(2,3)16-7-5-4-6-8-16)21(13-15)29-23(28)22(27)18-14-17(25)10-12-20(18)26/h4-8,10,12,14-15,19,21-22,26-27H,9,11,13H2,1-3H3/t15?,19?,21?,22-/m0/s1 |
| InChIKey | JSDDADNBNFYJKN-FBZUZEPMSA-N |
| Mol Weight | 416.95 g/mol |
| Molecular Formula | C24H29ClO4 |
| Exact Mass | 416.175437 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Al6nySN7o |
|---|---|
| Name | (2S)-2-(2-Hydroxy-5-chlorophenyl)-2-hydroxyethanoic acid (-)-8-phenylmenthyl ester |
| Alternate Name(s) | 5-Methyl-2-(1-methyl-1-phenylethyl)cyclohexyl (2S)-(5-chloro-2-hydroxyphenyl)(hydroxy)ethanoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C24H29ClO4 |
| InChI | InChI=1S/C24H29ClO4/c1-15-9-11-19(24(2,3)16-7-5-4-6-8-16)21(13-15)29-23(28)22(27)18-14-17(25)10-12-20(18)26/h4-8,10,12,14-15,19,21-22,26-27H,9,11,13H2,1-3H3/t15?,19?,21?,22-/m0/s1 |
| InChIKey | JSDDADNBNFYJKN-FBZUZEPMSA-N |
| Molecular Weight | 416.945 g/mol |
| SMILES | O[C@@](c1c(ccc(c1)Cl)O)(C(=O)OC1C(CCC(C1)C)C(C)(C)c1ccccc1)[H] |
| SPLASH | splash10-066r-0900000000-b3fb547efbb263d9fd19 |
| Source of Spectrum | J-64-5008-3 |
| Wiley ID | 1530645 |