SpectraBase Compound ID | 1z3dE19ozyf |
---|---|
InChI | InChI=1S/C11H14N2S/c1-8-3-4-10(9(2)7-8)13-11-12-5-6-14-11/h3-4,7H,5-6H2,1-2H3,(H,12,13) |
InChIKey | PMDCFIKMSPLBMG-UHFFFAOYSA-N |
Mol Weight | 206.31 g/mol |
Molecular Formula | C11H14N2S |
Exact Mass | 206.08777 g/mol |
SpectraBase Spectrum ID | EuQgCc0EkPa |
---|---|
Name | 2-(2,4-Xylidino)-2-thaizoline |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 206.087769633 u |
Formula | C11H14N2S |
InChI | InChI=1S/C11H14N2S/c1-8-3-4-10(9(2)7-8)13-11-12-5-6-14-11/h3-4,7H,5-6H2,1-2H3,(H,12,13) |
InChIKey | PMDCFIKMSPLBMG-UHFFFAOYSA-N |
SMILES | N(C=1C(=CC(=CC1)C)C)C=1SCCN1 |
Spectrum/Structure Validation Score (Raman) | 0.983382 |