| SpectraBase Compound ID | 8UXSzTmIqK2 |
|---|---|
| InChI | InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2 |
| InChIKey | PXNJGLAVKOXITN-UHFFFAOYSA-N |
| Mol Weight | 162.15 g/mol |
| Molecular Formula | C8H6N2O2 |
| Exact Mass | 162.042927 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7CJPdywGyyJ |
|---|---|
| Name | (4-Nitro-phenyl)-acetonitrile |
| CAS Registry Number | 555-21-5 |
| Comments | reassigned |
| Copyright | Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved. |
| Formula | C8H6N2O2 |
| InChI | InChI=1S/C8H6N2O2/c9-6-5-7-1-3-8(4-2-7)10(11)12/h1-4H,5H2 |
| InChIKey | PXNJGLAVKOXITN-UHFFFAOYSA-N |
| Instrument Name | Varian HA-100 |
| NMR Standard | TMS |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | CDCl3/DMSO-D6 |