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3,4-Diphenyl-1H-isothiochromen-1-one
SpectraBase Compound ID 2kB4qpAwQNk
InChI InChI=1S/C21H14OS/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14H
InChIKey CQBSNACSWXLTLN-UHFFFAOYSA-N
Mol Weight 314.4 g/mol
Molecular Formula C21H14OS
Exact Mass 314.076536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EVxeJNlClbj
Name 3,4-Diphenyl-1H-isothiochromen-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14OS
InChI InChI=1S/C21H14OS/c22-21-18-14-8-7-13-17(18)19(15-9-3-1-4-10-15)20(23-21)16-11-5-2-6-12-16/h1-14H
InChIKey CQBSNACSWXLTLN-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol200336c
Molecular Weight 314.402 g/mol
SMILES c1ccc2C(c3ccccc3)=C(c3ccccc3)SC(=O)c2c1
SPLASH splash10-03dr-0059000000-9aa6de07dabaf10a2340
Source of Spectrum A1-13-1912/SMS3-3b
Wiley ID 1752992