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2,5-Piperazinedione, 1,4-dimethyl-3-[(4-methylphenyl)thio]-, (.+-.)-
SpectraBase Compound ID 5QtIMVR3udA
InChI InChI=1S/C13H16N2O2S/c1-9-4-6-10(7-5-9)18-13-12(17)14(2)8-11(16)15(13)3/h4-7,13H,8H2,1-3H3
InChIKey QFGZFITWEYQRMM-UHFFFAOYSA-N
Mol Weight 264.34 g/mol
Molecular Formula C13H16N2O2S
Exact Mass 264.093249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JGQm9vauNPi
Name 2,5-Piperazinedione, 1,4-dimethyl-3-[(4-methylphenyl)thio]-, (.+-.)-
CAS Registry Number 83135-94-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16N2O2S
InChI InChI=1S/C13H16N2O2S/c1-9-4-6-10(7-5-9)18-13-12(17)14(2)8-11(16)15(13)3/h4-7,13H,8H2,1-3H3
InChIKey QFGZFITWEYQRMM-UHFFFAOYSA-N
Molecular Weight 264.343 g/mol
SMILES C1(N(C(=O)CN(C1=O)C)C)Sc1ccc(cc1)C
SPLASH splash10-008a-9560000000-3e4b903167114da06f88
Source of Spectrum C-104-6097-0
Synonyms 1,4-Dimethyl-3-(p-tolythio)-2,5-piperazinedione 1,4-Dimethyl-3-[(4-methylphenyl)sulfanyl]-2,5-piperazinedione
Wiley ID 1267659