| SpectraBase Compound ID | 5ykC3KDdTv |
|---|---|
| InChI | InChI=1S/C18H23BrO4/c1-3-5-6-14(4-2)13-22-17(20)11-12-18(21)23-16-9-7-15(19)8-10-16/h7-12,14H,3-6,13H2,1-2H3/b12-11+ |
| InChIKey | UEDJPDQMTDLZMH-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 | 1QLgHc3mOvw |
|---|---|
| Name | Fumaric acid, 4-bromophenyl 2-ethylhexyl 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/c1-3-5-6-14(4-2)13-22-17(20)11-12-18(21)23-16-9-7-15(19)8-10-16/h7-12,14H,3-6,13H2,1-2H3/b12-11+ |
| InChIKey | UEDJPDQMTDLZMH-VAWYXSNFSA-N |
| Molecular Weight | 383.282 g/mol |
| SMILES | C(\C=C\C(OCC(CC)CCCC)=O)(OC1=CC=C(C=C1)Br)=O |