| SpectraBase Compound ID | 5ZX77pJR2i4 |
|---|---|
| InChI | InChI=1S/C12H13ClO3/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2 |
| InChIKey | VYUQVDKGRUVUGE-UHFFFAOYSA-N |
| Mol Weight | 240.69 g/mol |
| Molecular Formula | C12H13ClO3 |
| Exact Mass | 240.055322 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LX3CTiABdAk |
|---|---|
| Name | 2-Chlorobenzoic acid, 2-tetrahydrofurylmethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 240.055321976 u |
| Formula | C12H13ClO3 |
| InChI | InChI=1S/C12H13ClO3/c13-11-6-2-1-5-10(11)12(14)16-8-9-4-3-7-15-9/h1-2,5-6,9H,3-4,7-8H2 |
| InChIKey | VYUQVDKGRUVUGE-UHFFFAOYSA-N |
| Molecular Weight | 240.686 g/mol |
| SMILES | C1(OCCC1)COC(C1=CC=CC=C1Cl)=O |