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3-Methylthio-2-benzyl-4-(4-chlorophenyl)-1,6-dioxo-2,3-dihydropyrano[3,4-c]pyrrole
SpectraBase Compound ID 7pO7MX7Ny1g
InChI InChI=1S/C21H16ClNO3S/c1-27-21-18-16(20(25)23(21)12-13-5-3-2-4-6-13)11-17(24)26-19(18)14-7-9-15(22)10-8-14/h2-11,21H,12H2,1H3
InChIKey OEFSXOGMJIBILL-UHFFFAOYSA-N
Mol Weight 397.88 g/mol
Molecular Formula C21H16ClNO3S
Exact Mass 397.053942 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ixib9QSWj2Z
Name 3-Methylthio-2-benzyl-4-(4-chlorophenyl)-1,6-dioxo-2,3-dihydropyrano[3,4-c]pyrrole
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16ClNO3S
InChI InChI=1S/C21H16ClNO3S/c1-27-21-18-16(20(25)23(21)12-13-5-3-2-4-6-13)11-17(24)26-19(18)14-7-9-15(22)10-8-14/h2-11,21H,12H2,1H3
InChIKey OEFSXOGMJIBILL-UHFFFAOYSA-N
Molecular Weight 397.876 g/mol
SMILES C1(N(C(C=2C1=C(OC(C2)=O)c1ccc(cc1)Cl)=O)Cc1ccccc1)SC
SPLASH splash10-0udi-0009000000-f4521c5c5e8184001861
Source of Spectrum SO-0-285-4
Synonyms 2-benzyl-4-(4-chlorophenyl)-3-(methylsulfanyl)-2,3-dihydropyrano[3,4-c]pyrrole-1,6-dione
Wiley ID 1539859