| SpectraBase Compound ID | 610sTcjwVXN |
|---|---|
| InChI | InChI=1S/C17H23BrO4/c1-2-3-4-5-6-13-21-16(19)11-12-17(20)22-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | FMAASSNLEXFVFN-UHFFFAOYSA-N |
| Mol Weight | 371.27 g/mol |
| Molecular Formula | C17H23BrO4 |
| Exact Mass | 370.077972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1X28tbfRhbq |
|---|---|
| Name | Succinic acid, 4-bromophenyl heptyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 370.077972217 u |
| Formula | C17H23BrO4 |
| InChI | InChI=1S/C17H23BrO4/c1-2-3-4-5-6-13-21-16(19)11-12-17(20)22-15-9-7-14(18)8-10-15/h7-10H,2-6,11-13H2,1H3 |
| InChIKey | FMAASSNLEXFVFN-UHFFFAOYSA-N |
| Molecular Weight | 371.271 g/mol |
| SMILES | C(CC(OC1=CC=C(C=C1)Br)=O)C(OCCCCCCC)=O |