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3-(5-Phenylthiophen-2-ylcarbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
SpectraBase Compound ID 4Hzxp39rpDm
InChI InChI=1S/C24H14N2OS/c25-15-18-14-20(26-13-12-16-6-4-5-9-19(16)23(18)26)24(27)22-11-10-21(28-22)17-7-2-1-3-8-17/h1-14H
InChIKey RIETUIVHZLSKFW-UHFFFAOYSA-N
Mol Weight 378.45 g/mol
Molecular Formula C24H14N2OS
Exact Mass 378.082684 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5JGgisKqxc
Name 3-(5-Phenylthiophen-2-ylcarbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Appearance Brown powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H14N2OS
InChI InChI=1S/C24H14N2OS/c25-15-18-14-20(26-13-12-16-6-4-5-9-19(16)23(18)26)24(27)22-11-10-21(28-22)17-7-2-1-3-8-17/h1-14H
InChIKey RIETUIVHZLSKFW-UHFFFAOYSA-N
Instrument Name Shimadzu GCMQP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2508
Molecular Weight 378.449 g/mol
SMILES c1cc2c(cc1)-c1[n](C=C2)c(cc1C#N)C(c1ccc(s1)-c1ccccc1)=O
SPLASH splash10-03di-0903000000-e9e50d7f21ede1f4fb3a
Source of Spectrum Y-53-1933-6
Wiley ID 1876711