| SpectraBase Compound ID | DbdPYKGiD3u |
|---|---|
| InChI | InChI=1S/C18H25BrO4/c1-2-3-4-7-13-22-17(20)11-8-12-18(21)23-14-15-9-5-6-10-16(15)19/h5-6,9-10H,2-4,7-8,11-14H2,1H3 |
| InChIKey | QXFFZBCVPZDHKQ-UHFFFAOYSA-N |
| Mol Weight | 385.3 g/mol |
| Molecular Formula | C18H25BrO4 |
| Exact Mass | 384.093622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | hCEejbF3CX |
|---|---|
| Name | Glutaric acid, 2-bromobenzyl hexyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.093622281 u |
| Formula | C18H25BrO4 |
| InChI | InChI=1S/C18H25BrO4/c1-2-3-4-7-13-22-17(20)11-8-12-18(21)23-14-15-9-5-6-10-16(15)19/h5-6,9-10H,2-4,7-8,11-14H2,1H3 |
| InChIKey | QXFFZBCVPZDHKQ-UHFFFAOYSA-N |
| Molecular Weight | 385.298 g/mol |
| SMILES | C(OCC1=C(C=CC=C1)Br)(=O)CCCC(OCCCCCC)=O |