| SpectraBase Compound ID | 572yKojDNSR |
|---|---|
| InChI | InChI=1S/C20H31BrO2/c1-3-5-6-7-8-9-10-11-12-19(4-2)23-20(22)17-13-15-18(21)16-14-17/h13-16,19H,3-12H2,1-2H3 |
| InChIKey | AVMXZYWQNODVQM-UHFFFAOYSA-N |
| Mol Weight | 383.37 g/mol |
| Molecular Formula | C20H31BrO2 |
| Exact Mass | 382.150743 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BCmJQwS699H |
|---|---|
| Name | 4-Bromobenzoic acid, 3-tridecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.150743236 u |
| Formula | C20H31BrO2 |
| InChI | InChI=1S/C20H31BrO2/c1-3-5-6-7-8-9-10-11-12-19(4-2)23-20(22)17-13-15-18(21)16-14-17/h13-16,19H,3-12H2,1-2H3 |
| InChIKey | AVMXZYWQNODVQM-UHFFFAOYSA-N |
| Molecular Weight | 383.370 g/mol |
| SMILES | C1=CC(C(OC(CCCCCCCCCC)CC)=O)=CC=C1Br |