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2,3-bis(2-benzyl-2,2-dicarbethoxyethyl)-6-methoxy-1-indenone
SpectraBase Compound ID KOnEE7pYOkC
InChI InChI=1S/C40H44O10/c1-6-47-35(42)39(36(43)48-7-2,23-27-16-12-10-13-17-27)25-32-30-21-20-29(46-5)22-31(30)34(41)33(32)26-40(37(44)49-8-3,38(45)50-9-4)24-28-18-14-11-15-19-28/h10-22H,6-9,23-26H2,1-5H3
InChIKey VTIBVABVVGWIRT-UHFFFAOYSA-N
Mol Weight 684.8 g/mol
Molecular Formula C40H44O10
Exact Mass 684.293448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 28BaxGCqtC2
Name 2,3-bis(2-benzyl-2,2-dicarbethoxyethyl)-6-methoxy-1-indenone
Alternate Name(s) Diethyl 2-benzyl-2-({2-[2-benzyl-3-ethoxy-2-(ethoxycarbonyl)-3-oxopropyl]-6-methoxy-1-oxo-1H-inden-3-yl}methyl)malonate 2-[[2-[3-ethoxy-2-ethoxycarbonyl-3-oxo-2-(phenylmethyl)propyl]-5-methoxy-3-oxo-1-indenyl]methyl]-2-(phenylmethyl)propanedioic acid diethyl ester Diethyl 2-benzyl-2-[[2-(2-benzyl-3-ethoxy-2-ethoxycarbonyl-3-oxopropyl)-5-methoxy-3-oxoinden-1-yl]methyl]propanedioate Diethyl 2-benzyl-2-[[2-(2-benzyl-3-ethoxy-2-ethoxycarbonyl-3-oxo-propyl)-5-methoxy-3-oxo-inden-1-yl]methyl]propanedioate Diethyl 2-[[2-[3-ethoxy-2-ethoxycarbonyl-3-oxidanylidene-2-(phenylmethyl)propyl]-5-methoxy-3-oxidanylidene-inden-1-yl]methyl]-2-(phenylmethyl)propanedioate
CAS Registry Number 73636-23-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H44O10
InChI InChI=1S/C40H44O10/c1-6-47-35(42)39(36(43)48-7-2,23-27-16-12-10-13-17-27)25-32-30-21-20-29(46-5)22-31(30)34(41)33(32)26-40(37(44)49-8-3,38(45)50-9-4)24-28-18-14-11-15-19-28/h10-22H,6-9,23-26H2,1-5H3
InChIKey VTIBVABVVGWIRT-UHFFFAOYSA-N
Molecular Weight 684.782 g/mol
SMILES C1(=C(c2ccc(cc2C1=O)OC)CC(C(=O)OCC)(C(=O)OCC)Cc1ccccc1)CC(C(=O)OCC)(C(=O)OCC)Cc1ccccc1
SPLASH splash10-0006-9000012000-a8f3feea0802fd51a105
Source of Spectrum J-45-3456-0
Wiley ID 1414477