| SpectraBase Compound ID | 51XWRoIEPlT |
|---|---|
| InChI | InChI=1S/C17H25BrO2/c1-2-3-4-5-6-7-8-9-14-20-17(19)15-10-12-16(18)13-11-15/h10-13H,2-9,14H2,1H3 |
| InChIKey | CTNGFMJDWNOMPZ-UHFFFAOYSA-N |
| Mol Weight | 341.29 g/mol |
| Molecular Formula | C17H25BrO2 |
| Exact Mass | 340.103793 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3ggJ4NexZqH |
|---|---|
| Name | 4-Bromobenzoic acid, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 340.103793043 u |
| Formula | C17H25BrO2 |
| InChI | InChI=1S/C17H25BrO2/c1-2-3-4-5-6-7-8-9-14-20-17(19)15-10-12-16(18)13-11-15/h10-13H,2-9,14H2,1H3 |
| InChIKey | CTNGFMJDWNOMPZ-UHFFFAOYSA-N |
| Molecular Weight | 341.289 g/mol |
| SMILES | C1=CC(C(=O)OCCCCCCCCCC)=CC=C1Br |