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Benzo[h]quinoline-3-carbonitrile, 5,6-dihydro-4-(methylthio)-2-phenyl-
SpectraBase Compound ID IMeMMgA24dX
InChI InChI=1S/C21H16N2S/c1-24-21-17-12-11-14-7-5-6-10-16(14)20(17)23-19(18(21)13-22)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3
InChIKey GAPQKSTYZICQSU-UHFFFAOYSA-N
Mol Weight 328.43 g/mol
Molecular Formula C21H16N2S
Exact Mass 328.10342 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6oXjloECqhr
Name Benzo[h]quinoline-3-carbonitrile, 5,6-dihydro-4-(methylthio)-2-phenyl-
Alternate Name(s) 3-Cyano-5,6-dihydro-4-(methylthio)-2-phenylbenzo[H]quinoline 4-(methylsulfanyl)-2-phenyl-5,6-dihydrobenzo[h]quinoline-3-carbonitrile
CAS Registry Number 130445-69-1
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16N2S
InChI InChI=1S/C21H16N2S/c1-24-21-17-12-11-14-7-5-6-10-16(14)20(17)23-19(18(21)13-22)15-8-3-2-4-9-15/h2-10H,11-12H2,1H3
InChIKey GAPQKSTYZICQSU-UHFFFAOYSA-N
Molecular Weight 328.433 g/mol
SMILES c1-2nc(-c3ccccc3)c(c(c1CCc1c2cccc1)SC)C#N
SPLASH splash10-004i-0009000000-ccf7ea1ca7ac7a3485b5
Source of Spectrum F-46-3712-12
Wiley ID 1326641