| SpectraBase Compound ID | JxhAFovelUv |
|---|---|
| InChI | InChI=1S/C18H23BrO4/c1-2-3-4-5-6-13-22-17(20)11-12-18(21)23-14-15-7-9-16(19)10-8-15/h7-12H,2-6,13-14H2,1H3/b12-11+ |
| InChIKey | ZKTNNXBFIAZHKD-VAWYXSNFSA-N |
| Mol Weight | 383.28 g/mol |
| Molecular Formula | C18H23BrO4 |
| Exact Mass | 382.077972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | QBoFtSP2Kf |
|---|---|
| Name | Fumaric acid, 4-bromobenzyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.077972217 u |
| Formula | C18H23BrO4 |
| InChI | InChI=1S/C18H23BrO4/c1-2-3-4-5-6-13-22-17(20)11-12-18(21)23-14-15-7-9-16(19)10-8-15/h7-12H,2-6,13-14H2,1H3/b12-11+ |
| InChIKey | ZKTNNXBFIAZHKD-VAWYXSNFSA-N |
| Molecular Weight | 383.282 g/mol |
| SMILES | CCCCCCCOC(\C=C\C(OCC1=CC=C(C=C1)Br)=O)=O |