| SpectraBase Compound ID | 1aeAMo3uaqq |
|---|---|
| InChI | InChI=1S/C14H19BrO2/c1-11-7-8-13(10-12(11)2)17-14(16)6-4-3-5-9-15/h7-8,10H,3-6,9H2,1-2H3 |
| InChIKey | JCBXWIJIQBOBMY-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 | 5vuPC0Vmhnp |
|---|---|
| Name | 6-Bromohexanoic acid, 3,4-dimethylphenyl 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/c1-11-7-8-13(10-12(11)2)17-14(16)6-4-3-5-9-15/h7-8,10H,3-6,9H2,1-2H3 |
| InChIKey | JCBXWIJIQBOBMY-UHFFFAOYSA-N |
| SMILES | C(CCCCCBr)(=O)OC=1C=C(C(C)=CC1)C |