| SpectraBase Compound ID | 7GpQOm4EmMf |
|---|---|
| InChI | InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3 |
| InChIKey | XRTKWPWDSUNLHS-UHFFFAOYSA-N |
| Mol Weight | 215.59 g/mol |
| Molecular Formula | C8H6ClNO4 |
| Exact Mass | 214.998535 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 7QKplbFMuTc |
|---|---|
| Name | 4-Chloro-3-nitrobenzoic acid methyl ester |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H6ClNO4 |
| InChI | InChI=1S/C8H6ClNO4/c1-14-8(11)5-2-3-6(9)7(4-5)10(12)13/h2-4H,1H3 |
| InChIKey | XRTKWPWDSUNLHS-UHFFFAOYSA-N |
| Ionization Type | EI-B |
| Molecular Weight | 215.592 g/mol |
| SMILES | COC(=O)c1ccc(c(c1)[N+]([O-])=O)Cl |
| SPLASH | splash10-001r-1910000000-d98264609c932e965295 |
| Source of Spectrum | SRH-2022-2648-0 |
| Wiley ID | 1825003 |