| SpectraBase Compound ID | Duz1D6AIqRm |
|---|---|
| InChI | InChI=1S/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | ADKLJTCVZHUANG-UHFFFAOYSA-N |
| Mol Weight | 201.2 g/mol |
| Molecular Formula | C7H7NO4S |
| Exact Mass | 201.009579 g/mol |
13C Nuclear Magnetic Resonance (NMR) Spectrum
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| SpectraBase Spectrum ID | HiOrBeOKk0b |
|---|---|
| Name | NITROMETHYL PHENYL SULFONE |
| Source of Sample | Fluka AG, Buchs, Switzerland |
| CAS Registry Number | 21272-85-5 |
| Copyright | Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C7H7NO4S |
| InChI | InChI=1S/C7H7NO4S/c9-8(10)6-13(11,12)7-4-2-1-3-5-7/h1-5H,6H2 |
| InChIKey | ADKLJTCVZHUANG-UHFFFAOYSA-N |
| Melting Point | 78-79C |
| Molecular Weight | 201.20 |
| Solvent | Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20 |
| Synonyms | SULFONE, NITROMETHYL PHENYL, |