| SpectraBase Compound ID | 98YeSEEwz1o |
|---|---|
| InChI | InChI=1S/C14H17ClO3/c1-10(2)11-6-3-4-7-12(11)18-14(17)9-5-8-13(15)16/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey | REFITRWAQBJRDF-UHFFFAOYSA-N |
| Mol Weight | 268.74 g/mol |
| Molecular Formula | C14H17ClO3 |
| Exact Mass | 268.086622 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3Qa7L4MaDxO |
|---|---|
| Name | Glutaric acid, monochloride, 2-isopropylphenyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.086622104 u |
| Formula | C14H17ClO3 |
| InChI | InChI=1S/C14H17ClO3/c1-10(2)11-6-3-4-7-12(11)18-14(17)9-5-8-13(15)16/h3-4,6-7,10H,5,8-9H2,1-2H3 |
| InChIKey | REFITRWAQBJRDF-UHFFFAOYSA-N |
| Molecular Weight | 268.740 g/mol |
| SMILES | CC(C)C1=CC=CC=C1OC(=O)CCCC(Cl)=O |