| SpectraBase Compound ID | Cs8IIgCVC5d |
|---|---|
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey | XRDRKVPNHIWTBX-UHFFFAOYSA-N |
| Mol Weight | 170.59 g/mol |
| Molecular Formula | C8H7ClO2 |
| Exact Mass | 170.013457 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Jd81Gh9BiHP |
|---|---|
| Name | 3-Chloro-benzoic acid, methyl ester |
| CAS Registry Number | 2905-65-9 |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7ClO2 |
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey | XRDRKVPNHIWTBX-UHFFFAOYSA-N |
| Literature Reference | Spectrosc. Lett. 19, 91 (1986). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | CDCl3 |