| SpectraBase Compound ID | IvbhbJ0Ydwn |
|---|---|
| InChI | InChI=1S/C9H11NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,2,7H2,1H3 |
| InChIKey | IWTMRYLZIDOZHL-UHFFFAOYSA-N |
| Mol Weight | 197.25 g/mol |
| Molecular Formula | C9H11NO2S |
| Exact Mass | 197.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | LS8kDXCDymU |
|---|---|
| Name | 4-Toluenesulfonylmethyl isocyanide |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.051049770 u |
| Formula | C9H11NO2S |
| InChI | InChI=1S/C9H11NO2S/c1-8-3-5-9(6-4-8)13(11,12)7-10-2/h3-6H,2,7H2,1H3 |
| InChIKey | IWTMRYLZIDOZHL-UHFFFAOYSA-N |
| Molecular Weight | 197.252 g/mol |
| Nominal Mass | 197 u |
| SMILES | C1(S(=O)(=O)CN=C)=CC=C(C=C1)C |