| SpectraBase Compound ID | JAK7wVgSFvl |
|---|---|
| InChI | InChI=1S/C9H9ClO2/c10-9-3-1-8(2-4-9)5-6-12-7-11/h1-4,7H,5-6H2 |
| InChIKey | GQUHLGKYJKTSGT-UHFFFAOYSA-N |
| Mol Weight | 184.62 g/mol |
| Molecular Formula | C9H9ClO2 |
| Exact Mass | 184.029107 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | K9fIGZfs53i |
|---|---|
| Name | Formic acid, 2-(4-chlorophenyl)ethyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.029107228 u |
| Formula | C9H9ClO2 |
| InChI | InChI=1S/C9H9ClO2/c10-9-3-1-8(2-4-9)5-6-12-7-11/h1-4,7H,5-6H2 |
| InChIKey | GQUHLGKYJKTSGT-UHFFFAOYSA-N |
| Molecular Weight | 184.622 g/mol |
| SMILES | C1(=CC=C(C=C1)Cl)CCOC=O |