| SpectraBase Compound ID | HTpwi4xDl17 |
|---|---|
| InChI | InChI=1S/C23H35BrO3/c1-3-22(25)21(24)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23(26)27-2/h4-5,8-11,14-17,21-22,25H,3,6-7,12-13,18-20H2,1-2H3/b5-4-,10-8-,11-9-,16-14-,17-15- |
| InChIKey | MFNZALNAJMVRGY-XLINJPRUSA-N |
| Mol Weight | 439.4 g/mol |
| Molecular Formula | C23H35BrO3 |
| Exact Mass | 438.176958 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | J9PYltPLDQu |
|---|---|
| Name | 19-Bromo-20-hydroxydocosahexaenoic acid methyl ester |
| Comments | Less than 3 mono-isotopic peaks |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C23H35BrO3 |
| InChI | InChI=1S/C23H35BrO3/c1-3-22(25)21(24)19-17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-20-23(26)27-2/h4-5,8-11,14-17,21-22,25H,3,6-7,12-13,18-20H2,1-2H3/b5-4-,10-8-,11-9-,16-14-,17-15- |
| InChIKey | MFNZALNAJMVRGY-XLINJPRUSA-N |
| Molecular Weight | 439.434 g/mol |
| SMILES | OC(C(C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)OC)Br)CC |
| SPLASH | splash10-06rf-0000900000-9957baaf94bfefe38402 |
| Source of Spectrum | QC-11-856-5 |
| Wiley ID | 859739 |