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3-(5-Bromothiophen-2-ylcarbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
SpectraBase Compound ID AMmeAyF7N4X
InChI InChI=1S/C18H9BrN2OS/c19-16-6-5-15(23-16)18(22)14-9-12(10-20)17-13-4-2-1-3-11(13)7-8-21(14)17/h1-9H
InChIKey QNNATNYIDQPDMZ-UHFFFAOYSA-N
Mol Weight 381.25 g/mol
Molecular Formula C18H9BrN2OS
Exact Mass 379.961897 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DEJyPIdiy6A
Name 3-(5-Bromothiophen-2-ylcarbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Appearance Brown solid
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Formula C18H9BrN2OS
InChI InChI=1S/C18H9BrN2OS/c19-16-6-5-15(23-16)18(22)14-9-12(10-20)17-13-4-2-1-3-11(13)7-8-21(14)17/h1-9H
InChIKey QNNATNYIDQPDMZ-UHFFFAOYSA-N
Instrument Name Shimadzu GCMQP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2508
Molecular Weight 381.247 g/mol
SMILES c1cc2c(cc1)-c1[n](C=C2)c(cc1C#N)C(c1ccc(s1)Br)=O
SPLASH splash10-01u3-0926000000-65cdcade4bf146ee9b19
Source of Spectrum Y-53-1931-3a
Wiley ID 1876710