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2,6-Diaminothymol, dihydrochloride

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

2,6-Diaminothymol, dihydrochloride
SpectraBase Compound ID CvHK1weAXbX
InChI InChI=1S/C10H16N2O.2ClH/c1-5(2)7-4-8(11)6(3)9(12)10(7)13;;/h4-5,13H,11-12H2,1-3H3;2*1H
InChIKey LQYLATOEVWXIKA-UHFFFAOYSA-N
Mol Weight 253.17 g/mol
Molecular Formula C10H18Cl2N2O
Exact Mass 252.079619 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID JGKOATifkGb
Name 2,6-Diaminothymol, dihydrochloride
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.079618607 u
Formula C10H18Cl2N2O
InChI InChI=1S/C10H16N2O.2ClH/c1-5(2)7-4-8(11)6(3)9(12)10(7)13;;/h4-5,13H,11-12H2,1-3H3;2*1H
InChIKey LQYLATOEVWXIKA-UHFFFAOYSA-N
Molecular Weight 253.173 g/mol
SMILES Cl.NC1=CC(=C(C(=C1C)N)O)C(C)C.Cl
Spectrum/Structure Validation Score (Raman) 0.952485