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Piperazinetrione, 6-[[2-(1,1-dimethylpropyl)-6-(3-methylbutyl)-1H-indol-3-yl]methyl]-
SpectraBase Compound ID HFmcpxsvHlS
InChI InChI=1S/C23H31N3O3/c1-6-23(4,5)19-16(12-18-20(27)26-22(29)21(28)25-18)15-10-9-14(8-7-13(2)3)11-17(15)24-19/h9-11,13,18,24H,6-8,12H2,1-5H3,(H,25,28)(H,26,27,29)
InChIKey YWIMZPQGJZKWRK-UHFFFAOYSA-N
Mol Weight 397.52 g/mol
Molecular Formula C23H31N3O3
Exact Mass 397.236542 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6y5z3vSBepP
Name Piperazinetrione, 6-[[2-(1,1-dimethylpropyl)-6-(3-methylbutyl)-1H-indol-3-yl]methyl]-
Alternate Name(s) 6-[(6-isopentyl-2-tert-pentyl-1H-indol-3-yl)methyl]-2,3,5-piperazinetrione Hexahydroneoechinulin Hexahydroneoechinuline Hydroneoechinuline
CAS Registry Number 65560-22-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H31N3O3
InChI InChI=1S/C23H31N3O3/c1-6-23(4,5)19-16(12-18-20(27)26-22(29)21(28)25-18)15-10-9-14(8-7-13(2)3)11-17(15)24-19/h9-11,13,18,24H,6-8,12H2,1-5H3,(H,25,28)(H,26,27,29)
InChIKey YWIMZPQGJZKWRK-UHFFFAOYSA-N
Molecular Weight 397.519 g/mol
SMILES [nH]1c2c(c(CC3C(NC(=O)C(N3)=O)=O)c1C(CC)(C)C)ccc(c2)CCC(C)C
SPLASH splash10-00di-1490000000-b8e37169619b582e7542
Source of Spectrum BS-4-26-0
Wiley ID 1368041