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3-(4-Nitrophenyl)-4-(phenylthio)isoquinoline
SpectraBase Compound ID L3Ax8MVMadX
InChI InChI=1S/C21H14N2O2S/c24-23(25)17-12-10-15(11-13-17)20-21(26-18-7-2-1-3-8-18)19-9-5-4-6-16(19)14-22-20/h1-14H
InChIKey UQJHJDHJRUQTGX-UHFFFAOYSA-N
Mol Weight 358.42 g/mol
Molecular Formula C21H14N2O2S
Exact Mass 358.077599 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LwdABSdzQzl
Name 3-(4-Nitrophenyl)-4-(phenylthio)isoquinoline
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14N2O2S
InChI InChI=1S/C21H14N2O2S/c24-23(25)17-12-10-15(11-13-17)20-21(26-18-7-2-1-3-8-18)19-9-5-4-6-16(19)14-22-20/h1-14H
InChIKey UQJHJDHJRUQTGX-UHFFFAOYSA-N
Molecular Weight 358.415 g/mol
SMILES c1(c(ncc2c1cccc2)-c1ccc(N(=O)=O)cc1)Sc1ccccc1
SPLASH splash10-0a4r-0079000000-be66d79e590acc7625b7
Source of Spectrum F4-43-1224-13
Wiley ID 1675546