| SpectraBase Compound ID | BozZ9l0vQ0c |
|---|---|
| InChI | InChI=1S/C19H33BrO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-19(21)16-13-12-14-17-20/h2-10,12-14,16-18H2,1H3 |
| InChIKey | QZODGTJJDJNAKI-UHFFFAOYSA-N |
| Mol Weight | 373.4 g/mol |
| Molecular Formula | C19H33BrO2 |
| Exact Mass | 372.166393 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ub25d6evSm |
|---|---|
| Name | 6-Bromohexanoic acid, tridec-2-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 372.166393301 u |
| Formula | C19H33BrO2 |
| InChI | InChI=1S/C19H33BrO2/c1-2-3-4-5-6-7-8-9-10-11-15-18-22-19(21)16-13-12-14-17-20/h2-10,12-14,16-18H2,1H3 |
| InChIKey | QZODGTJJDJNAKI-UHFFFAOYSA-N |
| Molecular Weight | 373.375 g/mol |
| SMILES | C(CCCCC(=O)OCC#CCCCCCCCCCC)Br |