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2-Piperazinecarboxaldehyde, 1,4-dimethyl-2-[(4-methylphenyl)thio]-3,6-dioxo-, (.+-.)-
SpectraBase Compound ID ITqbHFJUkw1
InChI InChI=1S/C14H16N2O3S/c1-10-4-6-11(7-5-10)20-14(9-17)13(19)15(2)8-12(18)16(14)3/h4-7,9H,8H2,1-3H3
InChIKey MIDUBKHAGTVKAC-UHFFFAOYSA-N
Mol Weight 292.35 g/mol
Molecular Formula C14H16N2O3S
Exact Mass 292.088164 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95QkMC0kWiF
Name 2-Piperazinecarboxaldehyde, 1,4-dimethyl-2-[(4-methylphenyl)thio]-3,6-dioxo-, (.+-.)-
CAS Registry Number 83135-90-4
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16N2O3S
InChI InChI=1S/C14H16N2O3S/c1-10-4-6-11(7-5-10)20-14(9-17)13(19)15(2)8-12(18)16(14)3/h4-7,9H,8H2,1-3H3
InChIKey MIDUBKHAGTVKAC-UHFFFAOYSA-N
Molecular Weight 292.353 g/mol
SMILES C1(N(C(=O)CN(C1=O)C)C)(Sc1ccc(cc1)C)C=O
SPLASH splash10-00di-0900000000-5150276cfb247a3f18e6
Source of Spectrum C-104-6096-0
Synonyms 1,4-Dimethyl-2-[(4-methylphenyl)sulfanyl]-3,6-dioxo-2-piperazinecarbaldehyde 1,4-Dimethyl-3-(p-tolythio)-3-formyl-2,5-piperazinedione
Wiley ID 1295144