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4-Deuterio-3-phenylisothiazole
SpectraBase Compound ID HIXoE383Okv
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H/i6D
InChIKey QTRJTMPLVIRDHO-RAMDWTOOSA-N
Mol Weight 162.23 g/mol
Molecular Formula C9H6DNS
Exact Mass 162.036197 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EcS3cgnggI
Name 4-Deuterio-3-phenylisothiazole
Alternate Name(s) 4-deuterio-3-phenyl-1,2-thiazole
Comments Less than 3 mono-isotopic peaks
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Formula C9H6DNS
InChI InChI=1S/C9H7NS/c1-2-4-8(5-3-1)9-6-7-11-10-9/h1-7H/i6D
InChIKey QTRJTMPLVIRDHO-RAMDWTOOSA-N
Molecular Weight 162.228 g/mol
SMILES c1(nscc1[D])-c1ccccc1
SPLASH splash10-03di-0900000000-938435d512f597c4545b
Source of Spectrum J-65-3632-4
Wiley ID 1532366