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3-THIOMETHYL-3-[4'-(3''-METHYL-2''-BUTENOYL)-PHENYLMETHYL]-2,5-PIPERAZINEDIONE
SpectraBase Compound ID AcjDpRPigd8
InChI InChI=1S/C17H22N2O3S/c1-12(2)8-9-22-14-6-4-13(5-7-14)10-17(23-3)16(21)18-11-15(20)19-17/h4-8H,9-11H2,1-3H3,(H,18,21)(H,19,20)/t17-/m0/s1
InChIKey GEMWIMNKHCDSOM-KRWDZBQOSA-N
Mol Weight 334.43 g/mol
Molecular Formula C17H22N2O3S
Exact Mass 334.135114 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GwkZmbRAKZX
Name 3-THIOMETHYL-3-[4'-(3''-METHYL-2''-BUTENOYL)-PHENYLMETHYL]-2,5-PIPERAZINEDIONE
Compound Number 3
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H22N2O3S
InChI InChI=1S/C17H22N2O3S/c1-12(2)8-9-22-14-6-4-13(5-7-14)10-17(23-3)16(21)18-11-15(20)19-17/h4-8H,9-11H2,1-3H3,(H,18,21)(H,19,20)/t17-/m0/s1
InChIKey GEMWIMNKHCDSOM-KRWDZBQOSA-N
Literature Reference Author W.A.AYER,I.V.ALTENA,L.M.BROWNE
Literature Reference Citation PHYTOCHEM.,29,1661(1990)
Literature Reference DOI 10.1016/0031-9422(90)80141-3
Molecular Weight 334.433 g/mol
Solvent DMSO-D6
Source File Reference UWLU32102