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Quinoline, 3-(methylthio)-4-(methyl-D3-thio)-
SpectraBase Compound ID FaSdH7cRsId
InChI InChI=1S/C11H11NS2/c1-13-10-7-12-9-6-4-3-5-8(9)11(10)14-2/h3-7H,1-2H3/i2D3
InChIKey JBKPABSMMKMFKQ-BMSJAHLVSA-N
Mol Weight 224.35 g/mol
Molecular Formula C11H82D3NS2
Exact Mass 224.052122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8sG1q1ZB12l
Name Quinoline, 3-(methylthio)-4-(methyl-D3-thio)-
Alternate Name(s) 3-Methylthio-4-(trideuterio)methylthioquinoline
CAS Registry Number 128100-02-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H8D3NS2
InChI InChI=1S/C11H11NS2/c1-13-10-7-12-9-6-4-3-5-8(9)11(10)14-2/h3-7H,1-2H3/i2D3
InChIKey JBKPABSMMKMFKQ-BMSJAHLVSA-N
Molecular Weight 224.354 g/mol
SMILES c1(c2c(cccc2)ncc1SC)SC([2D])([2D])[2D]
SPLASH splash10-05fr-0390000000-ee7d39236774292bd065
Source of Spectrum O-25-166-1
Wiley ID 1221158