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2,5a-dimethyl-9-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9H)-one
SpectraBase Compound ID 9T19pobFPzb
InChI InChI=1S/C25H33N3O5/c1-16-4-3-9-24(2)14-20-21(22-25(16,24)33-22)19(23(29)32-20)15-26-10-12-27(13-11-26)17-5-7-18(8-6-17)28(30)31/h5-8,16,19-22H,3-4,9-15H2,1-2H3
InChIKey JBMNDNNOKRMRPC-UHFFFAOYSA-N
Mol Weight 455.6 g/mol
Molecular Formula C25H33N3O5
Exact Mass 455.242021 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MPaqmN7WTb
Name 2,5a-dimethyl-9-{[4-(4-nitrophenyl)-1-piperazinyl]methyl}octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9H)-one
Alternate Name(s) 2H-benzo[f]oxireno[2,3-e]benzofuran-8(9H)-one, octahydro-2,5a-dimethyl-9-[[4-(4-nitrophenyl)-1-piperazinyl]methyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H33N3O5
InChI InChI=1S/C25H33N3O5/c1-16-4-3-9-24(2)14-20-21(22-25(16,24)33-22)19(23(29)32-20)15-26-10-12-27(13-11-26)17-5-7-18(8-6-17)28(30)31/h5-8,16,19-22H,3-4,9-15H2,1-2H3
InChIKey JBMNDNNOKRMRPC-UHFFFAOYSA-N
Molecular Weight 455.555 g/mol
SMILES C123C(C4C(C(=O)OC4CC3(CCCC1C)C)CN1CCN(CC1)c1ccc(N(=O)=O)cc1)O2
SPLASH splash10-014i-3930000000-f83c77792bfc344f9a35
Wiley ID 1444440