| SpectraBase Compound ID | 9yCzZrUi5yy |
|---|---|
| InChI | InChI=1S/C12H21ClO3/c1-4-10(9(2)3)16-12(15)8-6-5-7-11(13)14/h9-10H,4-8H2,1-3H3 |
| InChIKey | JFCJPOAVRSQYAA-UHFFFAOYSA-N |
| Mol Weight | 248.75 g/mol |
| Molecular Formula | C12H21ClO3 |
| Exact Mass | 248.117922 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FvdC4y4nurS |
|---|---|
| Name | Adipic acid, monochloride 2-methylpent-3-yl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 248.117922233 u |
| Formula | C12H21ClO3 |
| InChI | InChI=1S/C12H21ClO3/c1-4-10(9(2)3)16-12(15)8-6-5-7-11(13)14/h9-10H,4-8H2,1-3H3 |
| InChIKey | JFCJPOAVRSQYAA-UHFFFAOYSA-N |
| Molecular Weight | 248.750 g/mol |
| SMILES | C(C(OC(C(C)C)CC)=O)CCCC(Cl)=O |