| SpectraBase Compound ID | ENVEio0ke8G |
|---|---|
| InChI | InChI=1S/C9H17BrO2/c1-8(2)12-9(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3 |
| InChIKey | ZCNHDLQYRACYQR-UHFFFAOYSA-N |
| Mol Weight | 237.14 g/mol |
| Molecular Formula | C9H17BrO2 |
| Exact Mass | 236.041193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5b3vvx2uFQN |
|---|---|
| Name | 6-Bromohexanoic acid, isopropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.041192785 u |
| Formula | C9H17BrO2 |
| InChI | InChI=1S/C9H17BrO2/c1-8(2)12-9(11)6-4-3-5-7-10/h8H,3-7H2,1-2H3 |
| InChIKey | ZCNHDLQYRACYQR-UHFFFAOYSA-N |
| Molecular Weight | 237.137 g/mol |
| SMILES | CC(OC(=O)CCCCCBr)C |