| SpectraBase Compound ID | H74TDVOEYtu |
|---|---|
| InChI | InChI=1S/C17H19BrO2/c1-12(2)9-10-14(11-13(3)4)20-17(19)15-7-5-6-8-16(15)18/h5-8,13-14H,1,11H2,2-4H3 |
| InChIKey | RTMJWOJEHVYKIA-UHFFFAOYSA-N |
| Mol Weight | 335.24 g/mol |
| Molecular Formula | C17H19BrO2 |
| Exact Mass | 334.056843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 96jtHyqhhGy |
|---|---|
| Name | 2-Bromobenzoic acid, 2,7-dimethyloct-7-en--5-yn-4-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 334.056842850 u |
| Formula | C17H19BrO2 |
| InChI | InChI=1S/C17H19BrO2/c1-12(2)9-10-14(11-13(3)4)20-17(19)15-7-5-6-8-16(15)18/h5-8,13-14H,1,11H2,2-4H3 |
| InChIKey | RTMJWOJEHVYKIA-UHFFFAOYSA-N |
| Molecular Weight | 335.241 g/mol |
| SMILES | C1=CC=C(C(=C1)C(OC(CC(C)C)C#CC(=C)C)=O)Br |