![2,4-bis[(4-Methoxyphenyl)sulfanyl]pyrimidine](/api/spectrum/BR89k1ncmDA/structure.png?h=300&w=458 "2,4-bis[(4-Methoxyphenyl)sulfanyl]pyrimidine")
| SpectraBase Compound ID | 1Z0m2V9uWRr |
|---|---|
| InChI | InChI=1S/C18H16N2O2S2/c1-21-13-3-7-15(8-4-13)23-17-11-12-19-18(20-17)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3 |
| InChIKey | VBPGOJZFAGOZEX-UHFFFAOYSA-N |
| Mol Weight | 356.46 g/mol |
| Molecular Formula | C18H16N2O2S2 |
| Exact Mass | 356.06532 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BR89k1ncmDA |
|---|---|
| Name | 2,4-bis[(4-Methoxyphenyl)sulfanyl]pyrimidine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 356.065320109 u |
| Formula | C18H16N2O2S2 |
| InChI | InChI=1S/C18H16N2O2S2/c1-21-13-3-7-15(8-4-13)23-17-11-12-19-18(20-17)24-16-9-5-14(22-2)6-10-16/h3-12H,1-2H3 |
| InChIKey | VBPGOJZFAGOZEX-UHFFFAOYSA-N |
| Molecular Weight | 356.458 g/mol |
| SMILES | C=1(N=C(C=CN1)SC=1C=CC(=CC1)OC)SC=1C=CC(=CC1)OC |