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[1]Benzothieno[2,3-c]isoquinoline, 5-phenyl-
SpectraBase Compound ID 9O4j5UPecyq
InChI InChI=1S/C21H13NS/c1-2-8-14(9-3-1)20-16-11-5-4-10-15(16)19-17-12-6-7-13-18(17)23-21(19)22-20/h1-13H
InChIKey YJHTUPRSADIJIG-UHFFFAOYSA-N
Mol Weight 311.4 g/mol
Molecular Formula C21H13NS
Exact Mass 311.076871 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HomVHoWOG
Name [1]Benzothieno[2,3-c]isoquinoline, 5-phenyl-
CAS Registry Number 51324-22-2
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H13NS
InChI InChI=1S/C21H13NS/c1-2-8-14(9-3-1)20-16-11-5-4-10-15(16)19-17-12-6-7-13-18(17)23-21(19)22-20/h1-13H
InChIKey YJHTUPRSADIJIG-UHFFFAOYSA-N
Molecular Weight 311.402 g/mol
SMILES c12nc(-c3ccccc3)c3c(c1c1ccccc1s2)cccc3
SPLASH splash10-03di-0009000000-a409d9e334d4714775b4
Source of Spectrum W5-0-0-0
Synonyms 5-phenyl[1]benzothieno[2,3-c]isoquinoline
Wiley ID 1312680