| SpectraBase Compound ID | 6d4dfAyyHAj |
|---|---|
| InChI | InChI=1S/C23H32SSe/c1(2-4-6-14-20-24-22-16-10-8-11-17-22)3-5-7-15-21-25-23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2 |
| InChIKey | JQADDXXPQGMMDR-UHFFFAOYSA-N |
| Mol Weight | 419.5 g/mol |
| Molecular Formula | C23H32SSe |
| Exact Mass | 420.138994 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3q4Rux34Qa3 |
|---|---|
| Name | 1-(Phenylseleno)-11-(phenylthio)undecane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 420.138994204 u |
| Formula | C23H32SSe |
| InChI | InChI=1S/C23H32SSe/c1(2-4-6-14-20-24-22-16-10-8-11-17-22)3-5-7-15-21-25-23-18-12-9-13-19-23/h8-13,16-19H,1-7,14-15,20-21H2 |
| InChIKey | JQADDXXPQGMMDR-UHFFFAOYSA-N |
| Molecular Weight | 419.541 g/mol |
| SMILES | C=1([Se]CCCCCCCCCCCSC=2C=CC=CC2)C=CC=CC1 |