| SpectraBase Compound ID | FRr8scT0BVw |
|---|---|
| InChI | InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11) |
| InChIKey | ADCUEPOHPCPMCE-UHFFFAOYSA-N |
| Mol Weight | 147.13 g/mol |
| Molecular Formula | C8H5NO2 |
| Exact Mass | 147.032028 g/mol |
17O Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52UURX1Mq9Q |
|---|---|
| Name | 4-Cyano-benzoic acid |
| CAS Registry Number | 619-65-8 |
| Comments | enrichment/labelling |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H5NO2 |
| InChI | InChI=1S/C8H5NO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,(H,10,11) |
| InChIKey | ADCUEPOHPCPMCE-UHFFFAOYSA-N |
| Instrument Name | SF = 270 MHz |
| Literature Reference | Org. Magn. Resonance 22, 753 (1984). |
| NMR Standard | not reported |
| Observed nucleus | 17O |
| Solvent | Acetone |