| SpectraBase Compound ID | BNPtbe5b1Rn |
|---|---|
| InChI | InChI=1S/C12H15ClO3/c13-8-3-1-2-7-12(15)16-11-6-4-5-10(14)9-11/h4-6,9,14H,1-3,7-8H2 |
| InChIKey | RFJSNAQSVHIBRQ-UHFFFAOYSA-N |
| Mol Weight | 242.7 g/mol |
| Molecular Formula | C12H15ClO3 |
| Exact Mass | 242.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9qsUJK7tHsY |
|---|---|
| Name | 1,3-Benzenediol, o-(6-chlorohexanoyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 242.070972040 u |
| Formula | C12H15ClO3 |
| InChI | InChI=1S/C12H15ClO3/c13-8-3-1-2-7-12(15)16-11-6-4-5-10(14)9-11/h4-6,9,14H,1-3,7-8H2 |
| InChIKey | RFJSNAQSVHIBRQ-UHFFFAOYSA-N |
| Molecular Weight | 242.702 g/mol |
| SMILES | C1(=CC(=CC=C1)OC(=O)CCCCCCl)O |