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4-Amino-3-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]-thieno[3,2-e]pyridine-2-carbonitrile
SpectraBase Compound ID I8EWDCUtVx0
InChI InChI=1S/C17H12ClN3S/c18-10-6-4-9(5-7-10)14-13(8-19)22-17-15(14)16(20)11-2-1-3-12(11)21-17/h4-7H,1-3H2,(H2,20,21)
InChIKey QSVVJQJAWLHRED-UHFFFAOYSA-N
Mol Weight 325.82 g/mol
Molecular Formula C17H12ClN3S
Exact Mass 325.044046 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K3kQ6eTLXKf
Name 4-Amino-3-(4-chlorophenyl)-6,7-dihydro-5H-cyclopenta[b]-thieno[3,2-e]pyridine-2-carbonitrile
Comments Less than 3 mono-isotopic peaks
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Formula C17H12ClN3S
InChI InChI=1S/C17H12ClN3S/c18-10-6-4-9(5-7-10)14-13(8-19)22-17-15(14)16(20)11-2-1-3-12(11)21-17/h4-7H,1-3H2,(H2,20,21)
InChIKey QSVVJQJAWLHRED-UHFFFAOYSA-N
Molecular Weight 325.817 g/mol
SMILES Nc1c2c(sc(c2-c2ccc(cc2)Cl)C#N)nc2c1CCC2
SPLASH splash10-004i-0009000000-3b7a3b994a48d0b6ad55
Source of Spectrum Y-49-366-3a
Wiley ID 1706571