| SpectraBase Compound ID | LvdkGcEedLv |
|---|---|
| InChI | InChI=1S/C13H15ClO3/c1-9-5-3-6-11(10(9)2)17-13(16)8-4-7-12(14)15/h3,5-6H,4,7-8H2,1-2H3 |
| InChIKey | NOVYBSOSXXNQJC-UHFFFAOYSA-N |
| Mol Weight | 254.71 g/mol |
| Molecular Formula | C13H15ClO3 |
| Exact Mass | 254.070972 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7YoMjiNB2O3 |
|---|---|
| Name | Glutaric acid, monochloride, 2,3-dimethylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 254.070972040 u |
| Formula | C13H15ClO3 |
| InChI | InChI=1S/C13H15ClO3/c1-9-5-3-6-11(10(9)2)17-13(16)8-4-7-12(14)15/h3,5-6H,4,7-8H2,1-2H3 |
| InChIKey | NOVYBSOSXXNQJC-UHFFFAOYSA-N |
| Molecular Weight | 254.713 g/mol |
| SMILES | CC1=CC=CC(OC(CCCC(Cl)=O)=O)=C1C |