SpectraBase Compound ID | 4156wA9EcMv |
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InChI | InChI=1S/C15H16N2O2S/c1-18-13-7-3-11(4-8-13)16-15(20)17-12-5-9-14(19-2)10-6-12/h3-10H,1-2H3,(H2,16,17,20) |
InChIKey | RGRJEERVXALLTH-UHFFFAOYSA-N |
Mol Weight | 288.37 g/mol |
Molecular Formula | C15H16N2O2S |
Exact Mass | 288.093249 g/mol |
SpectraBase Spectrum ID | LRxyzXVZwiZ |
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Name | 4,4'-Dimethoxythiocarbanilide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 288.093248935 u |
Formula | C15H16N2O2S |
InChI | InChI=1S/C15H16N2O2S/c1-18-13-7-3-11(4-8-13)16-15(20)17-12-5-9-14(19-2)10-6-12/h3-10H,1-2H3,(H2,16,17,20) |
InChIKey | RGRJEERVXALLTH-UHFFFAOYSA-N |
SMILES | N(C1=CC=C(C=C1)OC)C(NC=1C=CC(=CC1)OC)=S |
Spectrum/Structure Validation Score (Raman) | 0.978693 |