| SpectraBase Compound ID | JLAdxgiMG74 |
|---|---|
| InChI | InChI=1S/C25H17NS/c27-18-26-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H |
| InChIKey | AFJYTKBKRWQAEP-UHFFFAOYSA-N |
| Mol Weight | 363.48 g/mol |
| Molecular Formula | C25H17NS |
| Exact Mass | 363.108171 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 1agQuJPiADg |
|---|---|
| Name | N-(2,4,6-Triphenylphenyl)isothiocyanate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 363.108170725 u |
| Formula | C25H17NS |
| InChI | InChI=1S/C25H17NS/c27-18-26-25-23(20-12-6-2-7-13-20)16-22(19-10-4-1-5-11-19)17-24(25)21-14-8-3-9-15-21/h1-17H |
| InChIKey | AFJYTKBKRWQAEP-UHFFFAOYSA-N |
| Molecular Weight | 363.478 g/mol |
| SMILES | C=1(C(=CC(=CC1C=1C=CC=CC1)C=1C=CC=CC1)C1=CC=CC=C1)N=C=S |