| SpectraBase Compound ID | vpiX1jcXz3 |
|---|---|
| InChI | InChI=1S/C17H23BrO4/c1-2-3-4-5-11-21-16(19)9-10-17(20)22-13-14-7-6-8-15(18)12-14/h6-8,12H,2-5,9-11,13H2,1H3 |
| InChIKey | UPWZQSQHNRFEJL-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 | 7xXfNhZXT5P |
|---|---|
| Name | Succinic acid, 3-bromobenzyl hexyl 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/c1-2-3-4-5-11-21-16(19)9-10-17(20)22-13-14-7-6-8-15(18)12-14/h6-8,12H,2-5,9-11,13H2,1H3 |
| InChIKey | UPWZQSQHNRFEJL-UHFFFAOYSA-N |
| Molecular Weight | 371.271 g/mol |
| SMILES | C(OC(=O)CCC(OCCCCCC)=O)C1=CC(=CC=C1)Br |