| 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 |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 38OMX1OoU33 |
|---|---|
| Name | 3-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)6-3-2-4-7(9)5-6/h2-5H,1H3 |
| InChIKey | XRDRKVPNHIWTBX-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 170.595 g/mol |
| SMILES | COC(=O)c1cccc(c1)Cl |
| SPLASH | splash10-03kc-3900000000-9c8f79d6cfce3c8a98c6 |
| Source of Spectrum | SRH-2022-2633-0 |
| Wiley ID | 1824988 |