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8-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-4,12-dione
SpectraBase Compound ID C3YEl3OWFPi
InChI InChI=1S/C25H31N3O6/c1-3-6-18-13-19(25(31)22(14-18)32-2)15-28-11-9-26-23(29)16-33-20-7-4-5-8-21(20)34-17-24(30)27-10-12-28/h3-5,7-8,13-14,31H,1,6,9-12,15-17H2,2H3,(H,26,29)(H,27,30)
InChIKey FQRPIPHBIKQWIT-UHFFFAOYSA-N
Mol Weight 469.54 g/mol
Molecular Formula C25H31N3O6
Exact Mass 469.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2FJ9N86g3wk
Name 8-[(5-allyl-2-hydroxy-3-methoxy-phenyl)methyl]-2,14-dioxa-5,8,11-triazabicyclo[13.4.0]nonadeca-1(15),16,18-triene-4,12-dione
Appearance White crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H31N3O6
InChI InChI=1S/C25H31N3O6/c1-3-6-18-13-19(25(31)22(14-18)32-2)15-28-11-9-26-23(29)16-33-20-7-4-5-8-21(20)34-17-24(30)27-10-12-28/h3-5,7-8,13-14,31H,1,6,9-12,15-17H2,2H3,(H,26,29)(H,27,30)
InChIKey FQRPIPHBIKQWIT-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP 1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.1811
Molecular Weight 469.538 g/mol
SMILES N1CCN(Cc2c(c(cc(c2)CC=C)OC)O)CCNC(=O)COc2c(cccc2)OCC1=O
SPLASH splash10-0690-9320100000-587205e0864f8324a198
Source of Spectrum Y-53-173-173-3
Thin-Layer Chromatography Rf = 0.33 (EtOAc)
Wiley ID 1877534