![2-[3-(Dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole](/api/spectrum/BetsNbM4p00/structure.png?h=300&w=458 "2-[3-(Dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole")
| SpectraBase Compound ID | 9ZkAwiNz6te |
|---|---|
| InChI | InChI=1S/C16H16NO3PS/c1-19-21(18,20-2)11-12-6-5-7-13(10-12)16-17-14-8-3-4-9-15(14)22-16/h3-10H,11H2,1-2H3 |
| InChIKey | KRPVLUCWIGPMKJ-UHFFFAOYSA-N |
| Mol Weight | 333.34 g/mol |
| Molecular Formula | C16H16NO3PS |
| Exact Mass | 333.058852 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BetsNbM4p00 |
|---|---|
| Name | 2-[3-(Dimethoxyphosphorylmethyl)phenyl]-1,3-benzothiazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 333.058851548 u |
| Formula | C16H16NO3PS |
| InChI | InChI=1S/C16H16NO3PS/c1-19-21(18,20-2)11-12-6-5-7-13(10-12)16-17-14-8-3-4-9-15(14)22-16/h3-10H,11H2,1-2H3 |
| InChIKey | KRPVLUCWIGPMKJ-UHFFFAOYSA-N |
| Molecular Weight | 333.342 g/mol |
| SMILES | C1(=NC2=CC=CC=C2S1)C=1C=C(CP(=O)(OC)OC)C=CC1 |