| SpectraBase Compound ID | 7wkOsMtptO2 |
|---|---|
| InChI | InChI=1S/C18H25BrO4/c1-2-22-17(20)9-7-5-3-4-6-8-10-18(21)23-16-13-11-15(19)12-14-16/h11-14H,2-10H2,1H3 |
| InChIKey | OOMPMQHVZOPSCJ-UHFFFAOYSA-N |
| Mol Weight | 385.3 g/mol |
| Molecular Formula | C18H25BrO4 |
| Exact Mass | 384.093622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JXDTQNpvj30 |
|---|---|
| Name | Sebacic acid, 4-bromophenyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.093622281 u |
| Formula | C18H25BrO4 |
| InChI | InChI=1S/C18H25BrO4/c1-2-22-17(20)9-7-5-3-4-6-8-10-18(21)23-16-13-11-15(19)12-14-16/h11-14H,2-10H2,1H3 |
| InChIKey | OOMPMQHVZOPSCJ-UHFFFAOYSA-N |
| Molecular Weight | 385.298 g/mol |
| SMILES | C(CCCCCCCC(OC1=CC=C(C=C1)Br)=O)C(OCC)=O |