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3-(Benzothiazol-2-yl)carbonylpyrrolo[2,1-a]isoquinoline- 1-carbonitrile
SpectraBase Compound ID G3PfbiO3E93
InChI InChI=1S/C21H11N3OS/c22-12-14-11-17(20(25)21-23-16-7-3-4-8-18(16)26-21)24-10-9-13-5-1-2-6-15(13)19(14)24/h1-11H
InChIKey MTJCYENNTJEKMX-UHFFFAOYSA-N
Mol Weight 353.4 g/mol
Molecular Formula C21H11N3OS
Exact Mass 353.062283 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FdnkAl1V7Jf
Name 3-(Benzothiazol-2-yl)carbonylpyrrolo[2,1-a]isoquinoline- 1-carbonitrile
Alternate Name(s) 3-(benzo[d]thiazole-2-carbonyl)pyrrolo[2,1-a]isoquinoline-1-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H11N3OS
InChI InChI=1S/C21H11N3OS/c22-12-14-11-17(20(25)21-23-16-7-3-4-8-18(16)26-21)24-10-9-13-5-1-2-6-15(13)19(14)24/h1-11H
InChIKey MTJCYENNTJEKMX-UHFFFAOYSA-N
Literature Reference DOI 10.1002/jccs.200900170
Molecular Weight 353.399 g/mol
SMILES c1ccc2-c3[n](c(cc3C#N)C(c3nc4c(s3)cccc4)=O)C=Cc2c1
SPLASH splash10-0uxr-1459000000-cad26c9dc933fc426752
Source of Spectrum QA-56-1184-13a
Wiley ID 1791210