| SpectraBase Compound ID | JmjXUizaeGS |
|---|---|
| InChI | InChI=1S/C9H7NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,1H3 |
| InChIKey | RAMPDACRJWTXEV-UHFFFAOYSA-N |
| Mol Weight | 161.16 g/mol |
| Molecular Formula | C9H7NO2 |
| Exact Mass | 161.047678 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1JQufpUlN1M |
|---|---|
| Name | o-CYANOBENZOIC ACID, METHYL ESTER |
| Source of Sample | Aldrich Chemical Company, Inc., Milwaukee, Wisconsin |
| Copyright | Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C9H7NO2 |
| InChI | InChI=1S/C9H7NO2/c1-12-9(11)8-5-3-2-4-7(8)6-10/h2-5H,1H3 |
| InChIKey | RAMPDACRJWTXEV-UHFFFAOYSA-N |
| Melting Point | 49-51C |
| Molecular Weight | 161.16 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms | BENZOIC ACID, O-CYANO-, METHYL ESTER |