| SpectraBase Compound ID | 2iyuXRAH4ox |
|---|---|
| InChI | InChI=1S/C15H21BrO2/c1-12(2)13-7-9-14(10-8-13)18-15(17)6-4-3-5-11-16/h7-10,12H,3-6,11H2,1-2H3 |
| InChIKey | HMDKUXMORSDRQF-UHFFFAOYSA-N |
| Mol Weight | 313.24 g/mol |
| Molecular Formula | C15H21BrO2 |
| Exact Mass | 312.072493 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IRifjAdDDGQ |
|---|---|
| Name | 6-Bromohexanoic acid, 4-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 312.072492914 u |
| Formula | C15H21BrO2 |
| InChI | InChI=1S/C15H21BrO2/c1-12(2)13-7-9-14(10-8-13)18-15(17)6-4-3-5-11-16/h7-10,12H,3-6,11H2,1-2H3 |
| InChIKey | HMDKUXMORSDRQF-UHFFFAOYSA-N |
| Molecular Weight | 313.235 g/mol |
| SMILES | C(CCCCCBr)(=O)OC1=CC=C(C(C)C)C=C1 |