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cis-1-(2-cyanoethyl)-3-(thiophen-2-yl)-5-cyano-4,5-dihydropyrazole
SpectraBase Compound ID 138qzSpfvH9
InChI InChI=1S/C11H10N4S/c12-4-2-5-15-9(8-13)7-10(14-15)11-3-1-6-16-11/h1,3,6,9H,2,5,7H2/t9-/m0/s1
InChIKey CDQIYRYYZPODLT-VIFPVBQESA-N
Mol Weight 230.29 g/mol
Molecular Formula C11H10N4S
Exact Mass 230.062618 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rSeFo5qUwz
Name cis-1-(2-cyanoethyl)-3-(thiophen-2-yl)-5-cyano-4,5-dihydropyrazole
Alternate Name(s) (5S)-1-(2-cyanoethyl)-3-(2-thienyl)-4,5-dihydro-1H-pyrazole-5-carbonitrile
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Formula C11H10N4S
InChI InChI=1S/C11H10N4S/c12-4-2-5-15-9(8-13)7-10(14-15)11-3-1-6-16-11/h1,3,6,9H,2,5,7H2/t9-/m0/s1
InChIKey CDQIYRYYZPODLT-VIFPVBQESA-N
Molecular Weight 230.289 g/mol
SMILES C1(=NN([C@@](C1)(C#N)[H])CCC#N)c1sccc1
SPLASH splash10-0019-0970000000-ee324e714dcd4e2bcd68
Source of Spectrum AJ-62-1927-6
Wiley ID 1231408