| SpectraBase Compound ID | 3R0ZondlNeR |
|---|---|
| InChI | InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | SDKUOEOJAXGCLU-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 | KUch9PirgTt |
|---|---|
| Name | Benzoic acid, 3-chloro-4-methyl- |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H7ClO2 |
| InChI | InChI=1S/C8H7ClO2/c1-5-2-3-6(8(10)11)4-7(5)9/h2-4H,1H3,(H,10,11) |
| InChIKey | SDKUOEOJAXGCLU-UHFFFAOYSA-N |
| Molecular Weight | 170.0133 |
| SMILES | OC(=O)c1ccc(C)c(Cl)c1 |
| SPLASH | splash10-016r-9000000000-a1e0003b7264f59c4662 |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |