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4-allyl-2-[[4-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-6-methoxy-phenol
SpectraBase Compound ID pbSkBvbYJ
InChI InChI=1S/C26H34N2O4/c1-5-7-19-13-21(25(29)23(15-19)31-3)17-27-9-11-28(12-10-27)18-22-14-20(8-6-2)16-24(32-4)26(22)30/h5-6,13-16,29-30H,1-2,7-12,17-18H2,3-4H3
InChIKey POEGMNQEQWCTRP-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C26H34N2O4
Exact Mass 438.251858 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5C2y2avCZU
Name 4-allyl-2-[[4-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]piperazin-1-yl]methyl]-6-methoxy-phenol
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34N2O4
InChI InChI=1S/C26H34N2O4/c1-5-7-19-13-21(25(29)23(15-19)31-3)17-27-9-11-28(12-10-27)18-22-14-20(8-6-2)16-24(32-4)26(22)30/h5-6,13-16,29-30H,1-2,7-12,17-18H2,3-4H3
InChIKey POEGMNQEQWCTRP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1811
Molecular Weight 438.568 g/mol
SMILES Oc1c(CN2CCN(Cc3c(c(cc(c3)CC=C)OC)O)CC2)cc(cc1OC)CC=C
SPLASH splash10-002r-9840200000-1bcbb472681bfbbf9034
Source of Spectrum Y-53-173-173-6
Thin-Layer Chromatography Rf = 0.70 (EtOAc)
Wiley ID 1877537