| SpectraBase Compound ID | G5616weLkah |
|---|---|
| InChI | InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-14-17-21-18(20)15-12-11-13-16-19/h2-17H2,1H3 |
| InChIKey | MPJSHWQPIRUMCR-UHFFFAOYSA-N |
| Mol Weight | 363.4 g/mol |
| Molecular Formula | C18H35BrO2 |
| Exact Mass | 362.182043 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IAvTy32RGAt |
|---|---|
| Name | 6-Bromohexanoic acid, dodecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 362.182043365 u |
| Formula | C18H35BrO2 |
| InChI | InChI=1S/C18H35BrO2/c1-2-3-4-5-6-7-8-9-10-14-17-21-18(20)15-12-11-13-16-19/h2-17H2,1H3 |
| InChIKey | MPJSHWQPIRUMCR-UHFFFAOYSA-N |
| Molecular Weight | 363.380 g/mol |
| SMILES | C(CCC(OCCCCCCCCCCCC)=O)CCBr |