| SpectraBase Compound ID | ISLPzLlIP97 |
|---|---|
| InChI | InChI=1S/C14H25BrO4/c1-2-18-13(16)9-8-10-14(17)19-12-7-5-3-4-6-11-15/h2-12H2,1H3 |
| InChIKey | ASRLXJMQWYBHOP-UHFFFAOYSA-N |
| Mol Weight | 337.25 g/mol |
| Molecular Formula | C14H25BrO4 |
| Exact Mass | 336.093622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ga5uEvn3Gyr |
|---|---|
| Name | Glutaric acid, 7-bromoheptyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 336.093622281 u |
| Formula | C14H25BrO4 |
| InChI | InChI=1S/C14H25BrO4/c1-2-18-13(16)9-8-10-14(17)19-12-7-5-3-4-6-11-15/h2-12H2,1H3 |
| InChIKey | ASRLXJMQWYBHOP-UHFFFAOYSA-N |
| Molecular Weight | 337.254 g/mol |
| SMILES | C(CCCC(OCCCCCCCBr)=O)(OCC)=O |