| SpectraBase Compound ID | A7zMkA8E6IG |
|---|---|
| InChI | InChI=1S/C25H31BrO2S/c1-28-25(27)24-21-12-10-8-6-4-3-5-7-9-11-20(21)22(17-23(24)29-2)18-13-15-19(26)16-14-18/h13-17H,3-12H2,1-2H3 |
| InChIKey | TZQBJBUIXAIJJG-UHFFFAOYSA-N |
| Mol Weight | 475.49 g/mol |
| Molecular Formula | C25H31BrO2S |
| Exact Mass | 474.122814 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 8Jkind7kKQW |
|---|---|
| Name | Methyl 4-(4-bromophenyl)-6-methylthio-2,3-decamethylenobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H31BrO2S |
| InChI | InChI=1S/C25H31BrO2S/c1-28-25(27)24-21-12-10-8-6-4-3-5-7-9-11-20(21)22(17-23(24)29-2)18-13-15-19(26)16-14-18/h13-17H,3-12H2,1-2H3 |
| InChIKey | TZQBJBUIXAIJJG-UHFFFAOYSA-N |
| Molecular Weight | 475.485 g/mol |
| SMILES | c1(c2c(CCCCCCCCCC2)c(cc1SC)-c1ccc(cc1)Br)C(=O)OC |
| SPLASH | splash10-004l-0001900000-ed77be52d037c6938738 |
| Source of Spectrum | SO-0-468-3 |
| Synonyms | 1-(4-bromophenyl)-3-(methylthio)-5,6,7,8,9,10,11,12,13,14-decahydrobenzo[12]annulene-4-carboxylic acid methyl ester Methyl 1-(4-bromophenyl)-3-methylsulfanyl-5,6,7,8,9,10,11,12,13,14-decahydrobenzo[12]annulene-4-carboxylate |
| Wiley ID | 876415 |