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3-[5-(4-Tolyl)thiophen-2-ylcarbonyl]pyrrolo[2,1-a]isoquinoline-1-carbonitrile
SpectraBase Compound ID KS4u7AJxz74
InChI InChI=1S/C25H16N2OS/c1-16-6-8-18(9-7-16)22-10-11-23(29-22)25(28)21-14-19(15-26)24-20-5-3-2-4-17(20)12-13-27(21)24/h2-14H,1H3
InChIKey XDCCWYVZHUAFPE-UHFFFAOYSA-N
Mol Weight 392.48 g/mol
Molecular Formula C25H16N2OS
Exact Mass 392.098334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Aw22okUkOuf
Name 3-[5-(4-Tolyl)thiophen-2-ylcarbonyl]pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Appearance Green
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H16N2OS
InChI InChI=1S/C25H16N2OS/c1-16-6-8-18(9-7-16)22-10-11-23(29-22)25(28)21-14-19(15-26)24-20-5-3-2-4-17(20)12-13-27(21)24/h2-14H,1H3
InChIKey XDCCWYVZHUAFPE-UHFFFAOYSA-N
Instrument Name Shimadzu GCMQP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2508
Molecular Weight 392.476 g/mol
SMILES c1cc2c(cc1)-c1[n](C=C2)c(cc1C#N)C(c1ccc(s1)-c1ccc(cc1)C)=O
SPLASH splash10-03dl-0901000000-aee3c8231ba2ceabd5cb
Source of Spectrum Y-53-1933-9
Wiley ID 1876713