| 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 | 2F3FRnxIHBY |
|---|---|
| Name | BENZOIC ACID, 4-CHLORO-, METHYL ESTER |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C8H7O2Cl |
| InChI | InChI=1S/C8H7ClO2/c1-11-8(10)6-2-4-7(9)5-3-6/h2-5H,1H3 |
| InChIKey | LXNFVVDCCWUUKC-UHFFFAOYSA-N |
| Molecular Weight | 170.0133 |
| SMILES | c1c(Cl)ccc(C(=O)OC)c1 |
| SPLASH | splash10-01w0-3900000000-8211a6b38a7f2bb72f5d |
| Source of Spectrum | Chemical Concepts, A Wiley Division, Weinheim, Germany |