| SpectraBase Compound ID | 9bapNEzKOh8 |
|---|---|
| InChI | InChI=1S/C25H32O3/c1-3-5-6-15-18-21-24(26)22-19-16-13-11-9-7-8-10-12-14-17-20-23-25(27)28-4-2/h7-8,24,26H,3-5,9,11,13,16,19-20,22-23H2,1-2H3/b8-7+ |
| InChIKey | FEQWWLBNVBPZBI-BQYQJAHWSA-N |
| Mol Weight | 380.5 g/mol |
| Molecular Formula | C25H32O3 |
| Exact Mass | 380.235145 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | LyNyjK1OeSp |
|---|---|
| Name | carduusyne-E ethyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H32O3 |
| InChI | InChI=1S/C25H32O3/c1-3-5-6-15-18-21-24(26)22-19-16-13-11-9-7-8-10-12-14-17-20-23-25(27)28-4-2/h7-8,24,26H,3-5,9,11,13,16,19-20,22-23H2,1-2H3/b8-7+ |
| InChIKey | FEQWWLBNVBPZBI-BQYQJAHWSA-N |
| Molecular Weight | 380.528 g/mol |
| SMILES | OC(C#CC#CCCC)CCCCCC\C=C\C#CC#CCCC(=O)OCC |
| SPLASH | splash10-056u-9600000000-2bebb1e3dd48f36942a9 |
| Source of Spectrum | B-47-1901-0 |
| Wiley ID | 1359957 |