![1-[bis[4-(Methylthio)phenyl]methyl]-4-(methylthio)benzene](/api/spectrum/3wRxOPwGaQT/structure.png?h=300&w=458 "1-[bis[4-(Methylthio)phenyl]methyl]-4-(methylthio)benzene")
| SpectraBase Compound ID | C4ngT8Ltm0v |
|---|---|
| InChI | InChI=1S/C22H22S3/c1-23-19-10-4-16(5-11-19)22(17-6-12-20(24-2)13-7-17)18-8-14-21(25-3)15-9-18/h4-15,22H,1-3H3 |
| InChIKey | KKBYLKCVIGUFAM-UHFFFAOYSA-N |
| Mol Weight | 382.6 g/mol |
| Molecular Formula | C22H22S3 |
| Exact Mass | 382.088364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3wRxOPwGaQT |
|---|---|
| Name | 1-[bis[4-(Methylthio)phenyl]methyl]-4-(methylthio)benzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 382.088364230 u |
| Formula | C22H22S3 |
| InChI | InChI=1S/C22H22S3/c1-23-19-10-4-16(5-11-19)22(17-6-12-20(24-2)13-7-17)18-8-14-21(25-3)15-9-18/h4-15,22H,1-3H3 |
| InChIKey | KKBYLKCVIGUFAM-UHFFFAOYSA-N |
| Molecular Weight | 382.598 g/mol |
| SMILES | C(C1=CC=C(C=C1)SC)(C1=CC=C(C=C1)SC)C1=CC=C(C=C1)SC |