| SpectraBase Compound ID | HlRYC9Eadqp |
|---|---|
| InChI | InChI=1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | JTWHVBNYYWFXSI-UHFFFAOYSA-N |
| Mol Weight | 165.15 g/mol |
| Molecular Formula | C8H7NO3 |
| Exact Mass | 165.042593 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | 9mgOzlYMGiR |
|---|---|
| Name | Benzoylnitromethane |
| Source of Sample | Sigma-Aldrich Co. LLC. |
| Catalog Number | 308080 |
| CAS Registry Number | 614-21-1 |
| Copyright | Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C8H7NO3 |
| InChI | InChI=1S/C8H7NO3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | JTWHVBNYYWFXSI-UHFFFAOYSA-N |
| Observed nucleus | 13C |
| Purity | 98% |
| Solvent | CDCl3 |
| Source of Spectrum | Sigma-Aldrich Co. LLC. |
| Synonyms | alpha-Nitroacetophenone |
| Wiley ID | SIAL_13CNMR_006167 |