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1-Benzyl-6-[(6-hydroxy-7-methyl-1,3-benzodioxol-5-yl)methyl]-3-(2,4,5-trimethoxy-3-methyl-benzyl)pyrazin-2-one
SpectraBase Compound ID BiPIK5NpbQy
InChI InChI=1S/C31H32N2O7/c1-18-27(34)21(13-26-30(18)40-17-39-26)11-23-15-32-24(31(35)33(23)16-20-9-7-6-8-10-20)12-22-14-25(36-3)29(38-5)19(2)28(22)37-4/h6-10,13-15,34H,11-12,16-17H2,1-5H3
InChIKey MDTGXRIQNRDMMU-UHFFFAOYSA-N
Mol Weight 544.6 g/mol
Molecular Formula C31H32N2O7
Exact Mass 544.220951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Oc2SE1kDNO
Name 1-Benzyl-6-[(6-hydroxy-7-methyl-1,3-benzodioxol-5-yl)methyl]-3-(2,4,5-trimethoxy-3-methyl-benzyl)pyrazin-2-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H32N2O7
InChI InChI=1S/C31H32N2O7/c1-18-27(34)21(13-26-30(18)40-17-39-26)11-23-15-32-24(31(35)33(23)16-20-9-7-6-8-10-20)12-22-14-25(36-3)29(38-5)19(2)28(22)37-4/h6-10,13-15,34H,11-12,16-17H2,1-5H3
InChIKey MDTGXRIQNRDMMU-UHFFFAOYSA-N
Molecular Weight 544.604 g/mol
SMILES Oc1c(C)c2c(cc1CC=1N(C(C(Cc3c(c(C)c(c(c3)OC)OC)OC)=NC1)=O)Cc1ccccc1)OCO2
SPLASH splash10-0w9u-3171490000-3392dc9e928289a878b5
Source of Spectrum KC-0-63-23
Synonyms 1-Benzyl-6-[(6-hydroxy-7-methyl-1,3-benzodioxol-5-yl)methyl]-3-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]pyrazin-2-one 6-[(6-hydroxy-7-methyl-1,3-benzodioxol-5-yl)methyl]-1-(phenylmethyl)-3-[(2,4,5-trimethoxy-3-methylphenyl)methyl]-2-pyrazinone 6-[(7-methyl-6-oxidanyl-1,3-benzodioxol-5-yl)methyl]-1-(phenylmethyl)-3-[(2,4,5-trimethoxy-3-methyl-phenyl)methyl]pyrazin-2-one
Wiley ID 787012