| SpectraBase Compound ID | 494yRW1cE5A |
|---|---|
| InChI | InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2 |
| InChIKey | ICNFHJVPAJKPHW-UHFFFAOYSA-N |
| Mol Weight | 216.3 g/mol |
| Molecular Formula | C12H12N2S |
| Exact Mass | 216.07212 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | EX9KPWsELK7 |
|---|---|
| Name | 4,4'-Thiodianiline |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 216.072119568 u |
| Formula | C12H12N2S |
| InChI | InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2 |
| InChIKey | ICNFHJVPAJKPHW-UHFFFAOYSA-N |
| Molecular Weight | 216.302 g/mol |
| SMILES | NC1=CC=C(SC=2C=CC(=CC2)N)C=C1 |
| Spectrum/Structure Validation Score (Raman) | 0.761133 |