| SpectraBase Compound ID | 1ggGJkno4KK |
|---|---|
| InChI | InChI=1S/C18H35BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h17-18H,2-16H2,1H3 |
| InChIKey | FPTOZTNWJXTXES-UHFFFAOYSA-N |
| Mol Weight | 347.4 g/mol |
| Molecular Formula | C18H35BrO |
| Exact Mass | 346.187129 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7iK19amuI6V |
|---|---|
| Name | Octadecanal, 2-bromo- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 346.187128746 u |
| Formula | C18H35BrO |
| InChI | InChI=1S/C18H35BrO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18(19)17-20/h17-18H,2-16H2,1H3 |
| InChIKey | FPTOZTNWJXTXES-UHFFFAOYSA-N |
| Molecular Weight | 347.381 g/mol |
| SMILES | C(CCCCC(C=O)Br)CCCCCCCCCCC |