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5-(3-Ethoxycarbonylbenzyl)isophthalic acid dimethyl ester
SpectraBase Compound ID 2nX4lj4uNbk
InChI InChI=1S/C20H20O6/c1-4-26-20(23)15-7-5-6-13(9-15)8-14-10-16(18(21)24-2)12-17(11-14)19(22)25-3/h5-7,9-12H,4,8H2,1-3H3
InChIKey MSXCSPLWWWVLDV-UHFFFAOYSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D0l0As2uzmr
Name 5-(3-Ethoxycarbonylbenzyl)isophthalic acid dimethyl ester
Alternate Name(s) Dimethyl 5-(3-(ethoxycarbonyl)benzyl)isophthalate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-4-26-20(23)15-7-5-6-13(9-15)8-14-10-16(18(21)24-2)12-17(11-14)19(22)25-3/h5-7,9-12H,4,8H2,1-3H3
InChIKey MSXCSPLWWWVLDV-UHFFFAOYSA-N
Literature Reference DOI 10.1002/asia.200800161
Molecular Weight 356.374 g/mol
SMILES c1cc(C(OCC)=O)cc(Cc2cc(C(OC)=O)cc(C(=O)OC)c2)c1
SPLASH splash10-08fr-0119000000-447d94a5c1c4ba7a2ea0
Source of Spectrum CAJ-3-1690-7l
Wiley ID 1775099