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1(3H)-Isobenzofuranone, 3,3'-(4,6-dimethoxy-1,3-phenylene)bis[3-methyl-
SpectraBase Compound ID CtFG5J5xn5H
InChI InChI=1S/C26H22O6/c1-25(17-11-7-5-9-15(17)23(27)31-25)19-13-20(22(30-4)14-21(19)29-3)26(2)18-12-8-6-10-16(18)24(28)32-26/h5-14H,1-4H3
InChIKey ITZAVYDFMWNEFO-UHFFFAOYSA-N
Mol Weight 430.46 g/mol
Molecular Formula C26H22O6
Exact Mass 430.141638 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQAlIbbP6Kk
Name 1(3H)-Isobenzofuranone, 3,3'-(4,6-dimethoxy-1,3-phenylene)bis[3-methyl-
Alternate Name(s) 1,5-Dimethoxy-2,4-bis(3-methylphthalidyl)benzol 3-[2,4-dimethoxy-5-(1-methyl-3-oxo-1,3-dihydro-2-benzofuran-1-yl)phenyl]-3-methyl-2-benzofuran-1(3H)-one
CAS Registry Number 64042-52-0
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H22O6
InChI InChI=1S/C26H22O6/c1-25(17-11-7-5-9-15(17)23(27)31-25)19-13-20(22(30-4)14-21(19)29-3)26(2)18-12-8-6-10-16(18)24(28)32-26/h5-14H,1-4H3
InChIKey ITZAVYDFMWNEFO-UHFFFAOYSA-N
Molecular Weight 430.456 g/mol
SMILES C1(OC(=O)c2c1cccc2)(c1cc(C2(OC(=O)c3c2cccc3)C)c(cc1OC)OC)C
SPLASH splash10-001i-0000900000-4b3f2ae98675defc4684
Source of Spectrum K-110-2605-0
Wiley ID 1381639