![(ne)-N-[Methyl(phenyl)sulfuranylidene]carbamic acid methyl ester](/api/spectrum/IBnPVhE5PU7/structure.png?h=300&w=458 "(ne)-N-[Methyl(phenyl)sulfuranylidene]carbamic acid methyl ester")
| SpectraBase Compound ID | 84B4TAxNPO8 |
|---|---|
| InChI | InChI=1S/C9H11NO2S/c1-12-9(11)10-13(2)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChIKey | IHRDFVYDRSALOI-UHFFFAOYSA-N |
| Mol Weight | 197.25 g/mol |
| Molecular Formula | C9H11NO2S |
| Exact Mass | 197.05105 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IBnPVhE5PU7 |
|---|---|
| Name | (ne)-N-[Methyl(phenyl)sulfuranylidene]carbamic acid methyl ester |
| 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/c1-12-9(11)10-13(2)8-6-4-3-5-7-8/h3-7H,1-2H3 |
| InChIKey | IHRDFVYDRSALOI-UHFFFAOYSA-N |
| Molecular Weight | 197.252 g/mol |
| SMILES | C=1(S(=NC(=O)OC)C)C=CC=CC1 |