| SpectraBase Compound ID | HRtfHANVKix |
|---|---|
| InChI | InChI=1S/C14H19BrO2/c1-2-12-7-6-8-13(11-12)17-14(16)9-4-3-5-10-15/h6-8,11H,2-5,9-10H2,1H3 |
| InChIKey | CGPARSXTTAMAJJ-UHFFFAOYSA-N |
| Mol Weight | 299.21 g/mol |
| Molecular Formula | C14H19BrO2 |
| Exact Mass | 298.056843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90fLBVaSUG8 |
|---|---|
| Name | 6-Bromohexanoic acid, 3-ethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 298.056842850 u |
| Formula | C14H19BrO2 |
| InChI | InChI=1S/C14H19BrO2/c1-2-12-7-6-8-13(11-12)17-14(16)9-4-3-5-10-15/h6-8,11H,2-5,9-10H2,1H3 |
| InChIKey | CGPARSXTTAMAJJ-UHFFFAOYSA-N |
| SMILES | C(CCCCCBr)(=O)OC1=CC(CC)=CC=C1 |