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3-Isopropylsulfanyl-1-(4-nitro-phenyl)-pyrrolidine-2,5-dione
SpectraBase Compound ID Bnkih8ACo0I
InChI InChI=1S/C13H14N2O4S/c1-8(2)20-11-7-12(16)14(13(11)17)9-3-5-10(6-4-9)15(18)19/h3-6,8,11H,7H2,1-2H3
InChIKey JDKMKSIMISNKTC-UHFFFAOYSA-N
Mol Weight 294.33 g/mol
Molecular Formula C13H14N2O4S
Exact Mass 294.067428 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ibUUQrTk8d
Name 3-Isopropylsulfanyl-1-(4-nitro-phenyl)-pyrrolidine-2,5-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H14N2O4S
InChI InChI=1S/C13H14N2O4S/c1-8(2)20-11-7-12(16)14(13(11)17)9-3-5-10(6-4-9)15(18)19/h3-6,8,11H,7H2,1-2H3
InChIKey JDKMKSIMISNKTC-UHFFFAOYSA-N
Molecular Weight 294.325 g/mol
SMILES CC(SC1C(N(C(C1)=O)c1ccc(N(=O)=O)cc1)=O)C
SPLASH splash10-004i-9110000000-f091131223b3a916b9fc
Synonyms 1-(4-nitrophenyl)-3-(propan-2-ylthio)pyrrolidine-2,5-dione 1-(4-nitrophenyl)-3-propan-2-ylsulfanyl-pyrrolidine-2,5-dione 3-(Isopropylsulfanyl)-1-(4-nitrophenyl)-2,5-pyrrolidinedione 3-(isopropylthio)-1-(4-nitrophenyl)pyrrolidine-2,5-quinone 1-(4-nitrophenyl)-3-propan-2-ylsulfanylpyrrolidine-2,5-dione
Wiley ID 1461973