| SpectraBase Compound ID | Dh0ncg8rNRn |
|---|---|
| InChI | InChI=1S/C17H33BrO2/c1-3-5-6-7-8-9-10-11-12-14-16(13-4-2)20-17(19)15-18/h16H,3-15H2,1-2H3 |
| InChIKey | MIHWHCFCDPDMQZ-UHFFFAOYSA-N |
| Mol Weight | 349.4 g/mol |
| Molecular Formula | C17H33BrO2 |
| Exact Mass | 348.166393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Dv0mYN65iUH |
|---|---|
| Name | Bromoacetic acid, 4-pentadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 348.166393301 u |
| Formula | C17H33BrO2 |
| InChI | InChI=1S/C17H33BrO2/c1-3-5-6-7-8-9-10-11-12-14-16(13-4-2)20-17(19)15-18/h16H,3-15H2,1-2H3 |
| InChIKey | MIHWHCFCDPDMQZ-UHFFFAOYSA-N |
| Molecular Weight | 349.353 g/mol |
| SMILES | C(Br)C(=O)OC(CCCCCCCCCCC)CCC |