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Benzene, 1,4-bis(3,3-dimethylthioureido)-

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Benzene, 1,4-bis(3,3-dimethylthioureido)-
SpectraBase Compound ID 8SxleXJSQ1n
InChI InChI=1S/C12H18N4S2/c1-15(2)11(17)13-9-5-7-10(8-6-9)14-12(18)16(3)4/h5-8H,1-4H3,(H,13,17)(H,14,18)
InChIKey LCCQUPXEVGHHQC-UHFFFAOYSA-N
Mol Weight 282.42 g/mol
Molecular Formula C12H18N4S2
Exact Mass 282.097289 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Job0mFrwEwG
Name Benzene, 1,4-bis(3,3-dimethylthioureido)-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 282.097288944 u
Formula C12H18N4S2
InChI InChI=1S/C12H18N4S2/c1-15(2)11(17)13-9-5-7-10(8-6-9)14-12(18)16(3)4/h5-8H,1-4H3,(H,13,17)(H,14,18)
InChIKey LCCQUPXEVGHHQC-UHFFFAOYSA-N
Molecular Weight 282.424 g/mol
SMILES C1(=CC=C(C=C1)NC(=S)N(C)C)NC(N(C)C)=S
Spectrum/Structure Validation Score (Vapor Phase IR) 0.890053