| SpectraBase Compound ID | D19XoIFjYkc |
|---|---|
| InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3 |
| InChIKey | AXLYJLKKPUICKV-UHFFFAOYSA-N |
| Mol Weight | 181.15 g/mol |
| Molecular Formula | C8H7NO4 |
| Exact Mass | 181.037508 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2Tl94NnfMrM |
|---|---|
| Name | Methyl 3-nitrobenzoate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO4 |
| InChI | InChI=1S/C8H7NO4/c1-13-8(10)6-3-2-4-7(5-6)9(11)12/h2-5H,1H3 |
| InChIKey | AXLYJLKKPUICKV-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1039/C5RA18692G |
| Molecular Weight | 181.147 g/mol |
| SMILES | C(c1cccc(c1)[N+]([O-])=O)(=O)OC |
| SPLASH | splash10-0udi-3900000000-4cd66dfd7e037dd1802b |
| Source of Spectrum | RSA-5-94782-2m |
| Wiley ID | 1802668 |