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Propanedioic acid, [[2-(2,3,4-trimethoxyphenyl)-1,6-cycloheptadien-1-yl]methyl]-, dimethyl ester
SpectraBase Compound ID Bk2LAoFg7As
InChI InChI=1S/C22H28O7/c1-25-18-12-11-16(19(26-2)20(18)27-3)15-10-8-6-7-9-14(15)13-17(21(23)28-4)22(24)29-5/h7,9,11-12,17H,6,8,10,13H2,1-5H3
InChIKey ZQPFMJHDSVHNKK-UHFFFAOYSA-N
Mol Weight 404.46 g/mol
Molecular Formula C22H28O7
Exact Mass 404.183503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ANtxtsm0oix
Name Propanedioic acid, [[2-(2,3,4-trimethoxyphenyl)-1,6-cycloheptadien-1-yl]methyl]-, dimethyl ester
Alternate Name(s) 1-(2',3',4'-Trimethoxyphenyl)-2-[2',2'-di(carbomethoxy)ethane]-1,3-cycloheptadiene Dimethyl 2-{[2-(2,3,4-trimethoxyphenyl)-1,6-cycloheptadien-1-yl]methyl}malonate
CAS Registry Number 129748-45-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28O7
InChI InChI=1S/C22H28O7/c1-25-18-12-11-16(19(26-2)20(18)27-3)15-10-8-6-7-9-14(15)13-17(21(23)28-4)22(24)29-5/h7,9,11-12,17H,6,8,10,13H2,1-5H3
InChIKey ZQPFMJHDSVHNKK-UHFFFAOYSA-N
Molecular Weight 404.459 g/mol
SMILES C(CC1=C(c2c(c(OC)c(cc2)OC)OC)CCCC=C1)(C(=O)OC)C(=O)OC
SPLASH splash10-0fkc-0090300000-c5d0fdb53e3e5b70716b
Source of Spectrum F-46-2279-23
Wiley ID 1371272