| SpectraBase Compound ID | D1wU9pEOTtx |
|---|---|
| InChI | InChI=1S/C17H23BrO4/c1-4-10-21-15(19)17(5-2,6-3)16(20)22-12-13-8-7-9-14(18)11-13/h7-9,11H,4-6,10,12H2,1-3H3 |
| InChIKey | HPFOWVUWBNQYRB-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 | 3b8c0SxCfi2 |
|---|---|
| Name | Diethylmalonic acid, 3-bromobenzyl propyl 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/c1-4-10-21-15(19)17(5-2,6-3)16(20)22-12-13-8-7-9-14(18)11-13/h7-9,11H,4-6,10,12H2,1-3H3 |
| InChIKey | HPFOWVUWBNQYRB-UHFFFAOYSA-N |
| Molecular Weight | 371.271 g/mol |
| SMILES | CCC(C(OCCC)=O)(C(OCC1=CC=CC(=C1)Br)=O)CC |