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3-Methyl-5-ethylisothiazole
SpectraBase Compound ID 8qABWs8GgbC
InChI InChI=1S/C6H9NS/c1-3-6-4-5(2)7-8-6/h4H,3H2,1-2H3
InChIKey NNTSKJHCKCKGJG-UHFFFAOYSA-N
Mol Weight 127.2 g/mol
Molecular Formula C6H9NS
Exact Mass 127.04557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1Dn1ljX3pJ
Name 3-Methyl-5-ethylisothiazole
Alternate Name(s) 5-Ethyl-3-methylisothiazole 5-Ethyl-3-methyl-1,2-thiazole
Comments Less than 3 mono-isotopic peaks
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Formula C6H9NS
InChI InChI=1S/C6H9NS/c1-3-6-4-5(2)7-8-6/h4H,3H2,1-2H3
InChIKey NNTSKJHCKCKGJG-UHFFFAOYSA-N
Molecular Weight 127.205 g/mol
SMILES Cc1nsc(c1)CC
SPLASH splash10-03di-0900000000-bfdc007f740a260da131
Source of Spectrum SK-20-622-2a
Wiley ID 1733766