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1-Acetyl-3-(2-bromo-5-isopropoxy-4-methoxy-3-methylphenylmethylene)-4-(4-methoxyphenylmethyl)-2,5-piperazinedione
SpectraBase Compound ID 1apHVH1esNS
InChI InChI=1S/C26H29BrN2O6/c1-15(2)35-22-12-19(24(27)16(3)25(22)34-6)11-21-26(32)28(17(4)30)14-23(31)29(21)13-18-7-9-20(33-5)10-8-18/h7-12,15H,13-14H2,1-6H3/b21-11+
InChIKey AYCCBRLRVSASOP-SRZZPIQSSA-N
Mol Weight 545.43 g/mol
Molecular Formula C26H29BrN2O6
Exact Mass 544.1209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IKUWlokuJnU
Name 1-Acetyl-3-(2-bromo-5-isopropoxy-4-methoxy-3-methylphenylmethylene)-4-(4-methoxyphenylmethyl)-2,5-piperazinedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H29BrN2O6
InChI InChI=1S/C26H29BrN2O6/c1-15(2)35-22-12-19(24(27)16(3)25(22)34-6)11-21-26(32)28(17(4)30)14-23(31)29(21)13-18-7-9-20(33-5)10-8-18/h7-12,15H,13-14H2,1-6H3/b21-11+
InChIKey AYCCBRLRVSASOP-SRZZPIQSSA-N
Molecular Weight 545.430 g/mol
SMILES C1(N(\C(C(N(C1)C(=O)C)=O)=C/c1c(c(C)c(c(c1)OC(C)C)OC)Br)Cc1ccc(cc1)OC)=O
SPLASH splash10-00xr-0600900000-0198d27d67f22d48a9e5
Source of Spectrum E2-48-1552-10
Synonyms (3E)-1-acetyl-3-(2-bromo-5-isopropoxy-4-methoxy-3-methylbenzylidene)-4-(4-methoxybenzyl)-2,5-piperazinedione
Wiley ID 1555335