| SpectraBase Compound ID | 75x8KNBTlap |
|---|---|
| InChI | InChI=1S/C20H27BrO4/c1-2-3-4-5-6-7-8-9-16-24-19(22)14-15-20(23)25-18-12-10-17(21)11-13-18/h10-15H,2-9,16H2,1H3/b15-14+ |
| InChIKey | SQQCHJYZNNPFJU-CCEZHUSRSA-N |
| Mol Weight | 411.34 g/mol |
| Molecular Formula | C20H27BrO4 |
| Exact Mass | 410.109272 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KWBOyKvvocG |
|---|---|
| Name | Fumaric acid, 4-bromophenyl decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 410.109272345 u |
| Formula | C20H27BrO4 |
| InChI | InChI=1S/C20H27BrO4/c1-2-3-4-5-6-7-8-9-16-24-19(22)14-15-20(23)25-18-12-10-17(21)11-13-18/h10-15H,2-9,16H2,1H3/b15-14+ |
| InChIKey | SQQCHJYZNNPFJU-CCEZHUSRSA-N |
| Molecular Weight | 411.336 g/mol |
| SMILES | C(CCOC(\C=C\C(OC1=CC=C(C=C1)Br)=O)=O)CCCCCCC |