| SpectraBase Compound ID | BNR69kcE2VO |
|---|---|
| InChI | InChI=1S/C16H21BrO4/c1-2-3-4-5-12-20-15(18)10-11-16(19)21-14-8-6-13(17)7-9-14/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | DIAVULAHFPIINP-UHFFFAOYSA-N |
| Mol Weight | 357.24 g/mol |
| Molecular Formula | C16H21BrO4 |
| Exact Mass | 356.062322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | G3nVbFneHAi |
|---|---|
| Name | Succinic acid, 4-bromophenyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.062322152 u |
| Formula | C16H21BrO4 |
| InChI | InChI=1S/C16H21BrO4/c1-2-3-4-5-12-20-15(18)10-11-16(19)21-14-8-6-13(17)7-9-14/h6-9H,2-5,10-12H2,1H3 |
| InChIKey | DIAVULAHFPIINP-UHFFFAOYSA-N |
| Molecular Weight | 357.244 g/mol |
| SMILES | C(CC(OC1=CC=C(C=C1)Br)=O)C(OCCCCCC)=O |