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3-[5-(4-Chlorophenyl)thiophen-2-ylcarbonyl]pyrrolo[2,1-a]isoquinoline-1-carbonitrile
SpectraBase Compound ID 7VA2oVegNVg
InChI InChI=1S/C24H13ClN2OS/c25-18-7-5-16(6-8-18)21-9-10-22(29-21)24(28)20-13-17(14-26)23-19-4-2-1-3-15(19)11-12-27(20)23/h1-13H
InChIKey XCUQSVAIRYGDBN-UHFFFAOYSA-N
Mol Weight 412.89 g/mol
Molecular Formula C24H13ClN2OS
Exact Mass 412.043712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 61xmI90HEf1
Name 3-[5-(4-Chlorophenyl)thiophen-2-ylcarbonyl]pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Appearance Yellow powder
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Formula C24H13ClN2OS
InChI InChI=1S/C24H13ClN2OS/c25-18-7-5-16(6-8-18)21-9-10-22(29-21)24(28)20-13-17(14-26)23-19-4-2-1-3-15(19)11-12-27(20)23/h1-13H
InChIKey XCUQSVAIRYGDBN-UHFFFAOYSA-N
Instrument Name Shimadzu GCMQP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2508
Molecular Weight 412.894 g/mol
SMILES c1cc2c(cc1)-c1[n](C=C2)c(cc1C#N)C(c1ccc(s1)-c1ccc(cc1)Cl)=O
SPLASH splash10-03di-0611900000-f8c585e05f8ea955e0b9
Source of Spectrum Y-53-1933-7
Wiley ID 1876712