![[(E)-2-(diethoxyphosphorylthio)ethenyl]benzene](/api/spectrum/BPDD1NcOddw/structure.png?h=300&w=458 "[(E)-2-(diethoxyphosphorylthio)ethenyl]benzene")
| SpectraBase Compound ID | K1gddFX8mLr |
|---|---|
| InChI | InChI=1S/C12H17O3PS/c1-3-14-16(13,15-4-2)17-11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+ |
| InChIKey | NGCIYOUVCOHKMK-ZHACJKMWSA-N |
| Mol Weight | 272.3 g/mol |
| Molecular Formula | C12H17O3PS |
| Exact Mass | 272.063603 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BPDD1NcOddw |
|---|---|
| Name | [(E)-2-(Diethoxyphosphorylthio)ethenyl]benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 272.063602576 u |
| Formula | C12H17O3PS |
| InChI | InChI=1S/C12H17O3PS/c1-3-14-16(13,15-4-2)17-11-10-12-8-6-5-7-9-12/h5-11H,3-4H2,1-2H3/b11-10+ |
| InChIKey | NGCIYOUVCOHKMK-ZHACJKMWSA-N |
| Molecular Weight | 272.299 g/mol |
| SMILES | C=1(\C=C\SP(=O)(OCC)OCC)C=CC=CC1 |