| SpectraBase Compound ID | 1Bvo4AxTHFB |
|---|---|
| InChI | InChI=1S/C14H17BrO4/c1-2-18-13(16)7-4-8-14(17)19-10-11-5-3-6-12(15)9-11/h3,5-6,9H,2,4,7-8,10H2,1H3 |
| InChIKey | CBJAGKUCPMOZHL-UHFFFAOYSA-N |
| Mol Weight | 329.19 g/mol |
| Molecular Formula | C14H17BrO4 |
| Exact Mass | 328.031022 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6xPU83uzyfd |
|---|---|
| Name | Glutaric acid, 3-bromobenzyl ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 328.031022023 u |
| Formula | C14H17BrO4 |
| InChI | InChI=1S/C14H17BrO4/c1-2-18-13(16)7-4-8-14(17)19-10-11-5-3-6-12(15)9-11/h3,5-6,9H,2,4,7-8,10H2,1H3 |
| InChIKey | CBJAGKUCPMOZHL-UHFFFAOYSA-N |
| Molecular Weight | 329.190 g/mol |
| SMILES | C(OCC1=CC(=CC=C1)Br)(=O)CCCC(OCC)=O |