| SpectraBase Compound ID | CdZmf3nIuz2 |
|---|---|
| InChI | InChI=1S/C18H30Br6O2/c1-2-12(19)14(21)10-16(23)17(24)11-15(22)13(20)8-6-4-3-5-7-9-18(25)26/h12-17H,2-11H2,1H3,(H,25,26) |
| InChIKey | XIVWIZLTAYDHDS-UHFFFAOYSA-N |
| Mol Weight | 757.86 g/mol |
| Molecular Formula | C18H30Br6O2 |
| Exact Mass | 751.734608 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LI48QywDwtx |
|---|---|
| Name | 9,10,12,13,15,16-Hexabromooctadecanoic acid |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 751.734608204 u |
| Formula | C18H30Br6O2 |
| InChI | InChI=1S/C18H30Br6O2/c1-2-12(19)14(21)10-16(23)17(24)11-15(22)13(20)8-6-4-3-5-7-9-18(25)26/h12-17H,2-11H2,1H3,(H,25,26) |
| InChIKey | XIVWIZLTAYDHDS-UHFFFAOYSA-N |
| Molecular Weight | 757.860 g/mol |
| SMILES | OC(CCCCCCCC(C(CC(C(CC(C(CC)Br)Br)Br)Br)Br)Br)=O |