| SpectraBase Compound ID | AZU8Yr4NC7o |
|---|---|
| InChI | InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H |
| InChIKey | NKJIFDNZPGLLSH-UHFFFAOYSA-N |
| Mol Weight | 148.12 g/mol |
| Molecular Formula | C7H4N2O2 |
| Exact Mass | 148.027277 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Fb3r3I2E02X |
|---|---|
| Name | 4-Nitro-benzonitrile |
| CAS Registry Number | 619-72-7 |
| Comments | FROM WEHRLI REASSIGNED|C7 SHIFTVALUE AT 111.70 PPM IS ELEMINATED (A.H.) |
| Copyright | Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved. |
| Formula | C7H4N2O2 |
| InChI | InChI=1S/C7H4N2O2/c8-5-6-1-3-7(4-2-6)9(10)11/h1-4H |
| InChIKey | NKJIFDNZPGLLSH-UHFFFAOYSA-N |
| NMR Standard | CS2 |
| Origin | Chemical Concepts. A Wiley Division. Weinheim, Germany |
| Solvent | DMSO-D6 |