SpectraBase Compound ID | LvBnJP47sGh |
---|---|
InChI | InChI=1S/C9H10N2OS2/c1-12-7-4-2-6(3-5-7)11-9(14)8(10)13/h2-5H,1H3,(H2,10,13)(H,11,14) |
InChIKey | JAZMFDOXMXDXEY-UHFFFAOYSA-N |
Mol Weight | 226.31 g/mol |
Molecular Formula | C9H10N2OS2 |
Exact Mass | 226.023455 g/mol |
SpectraBase Spectrum ID | 3VAKxPVv89D |
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Name | Dithio(p-methoxyphenyl)oxamide |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 226.023455297 u |
Formula | C9H10N2OS2 |
InChI | InChI=1S/C9H10N2OS2/c1-12-7-4-2-6(3-5-7)11-9(14)8(10)13/h2-5H,1H3,(H2,10,13)(H,11,14) |
InChIKey | JAZMFDOXMXDXEY-UHFFFAOYSA-N |
Molecular Weight | 226.312 g/mol |
SMILES | N(C1=CC=C(C=C1)OC)C(C(N)=S)=S |
Spectrum/Structure Validation Score (Raman) | 0.94891 |