| SpectraBase Compound ID | 972nIIBb2xe |
|---|---|
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | LXNFVVDCCWUUKC-UHFFFAOYSA-N |
| Mol Weight | 170.59 g/mol |
| Molecular Formula | C8H7ClO2 |
| Exact Mass | 170.013457 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 16FmsW4ALNN |
|---|---|
| Name | 4-Chlorobenzoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7ClO2 |
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | LXNFVVDCCWUUKC-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 170.595 g/mol |
| SMILES | COC(=O)c1ccc(cc1)Cl |
| SPLASH | splash10-024i-4900000000-5ce48f099a8bf6c0739e |
| Source of Spectrum | SRH-2022-2632-0 |
| Wiley ID | 1824987 |