| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3QSNt5Orruy |
|---|---|
| Name | m-NITROBENZOIC ACID, METHYL ESTER |
| Source of Sample | Eastman Organic Chemicals, Rochester, New York |
| Copyright | Copyright © 1980, 1981-2024 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 |
| Melting Point | 77.5C |
| Molecular Weight | 181.15 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms | BENZOIC ACID, M-NITRO-, METHYL ESTER |