![1-[2-(Phenylethyl)thio]-1-(methylthio)-2-nitroethene](/api/spectrum/HPOjpbuxxu0/structure.png?h=300&w=458 "1-[2-(Phenylethyl)thio]-1-(methylthio)-2-nitroethene")
| SpectraBase Compound ID | JKuQmq0X4li |
|---|---|
| InChI | InChI=1S/C11H13NO2S2/c1-15-11(9-12(13)14)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/b11-9+ |
| InChIKey | UMDFIOZSMVUNMP-PKNBQFBNSA-N |
| Mol Weight | 255.35 g/mol |
| Molecular Formula | C11H13NO2S2 |
| Exact Mass | 255.038771 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HPOjpbuxxu0 |
|---|---|
| Name | 1-[2-(Phenylethyl)thio]-1-(methylthio)-2-nitroethene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 255.038771009 u |
| Formula | C11H13NO2S2 |
| InChI | InChI=1S/C11H13NO2S2/c1-15-11(9-12(13)14)16-8-7-10-5-3-2-4-6-10/h2-6,9H,7-8H2,1H3/b11-9+ |
| InChIKey | UMDFIOZSMVUNMP-PKNBQFBNSA-N |
| Molecular Weight | 255.350 g/mol |
| SMILES | C(S\C(=C\N(=O)=O)SC)CC1=CC=CC=C1 |