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3-[4-(benzyloxy)-2-(carboxymethyl)-6-methoxy-m-toluoyl]-2,4,6-trimethoxybenzoic acid, dimethyl ester
SpectraBase Compound ID DSO2wXMIkKe
InChI InChI=1S/C30H32O10/c1-17-19(13-24(31)37-5)25(21(34-2)14-20(17)40-16-18-11-9-8-10-12-18)28(32)26-22(35-3)15-23(36-4)27(29(26)38-6)30(33)39-7/h8-12,14-15H,13,16H2,1-7H3
InChIKey IQZOXPFUBLRXTM-UHFFFAOYSA-N
Mol Weight 552.6 g/mol
Molecular Formula C30H32O10
Exact Mass 552.199547 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 7q5tJWfAymH
Name 3-[4-(BENZYLOXY)-2-(CARBOXYMETHYL)-6-METHOXY-m-TOLUOYL]-2,4,6-TRIMETHOXYBENZOIC ACID, DIMETHYL ESTER
Source of Sample M. J. Broadhurst, Roche Products Ltd., Welwyne Garden City, Hertfordshire, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H32O10
InChI InChI=1S/C30H32O10/c1-17-19(13-24(31)37-5)25(21(34-2)14-20(17)40-16-18-11-9-8-10-12-18)28(32)26-22(35-3)15-23(36-4)27(29(26)38-6)30(33)39-7/h8-12,14-15H,13,16H2,1-7H3
InChIKey IQZOXPFUBLRXTM-UHFFFAOYSA-N
Literature Reference J. CHEM. SOC. PERKIN TRANS. I, 2502(1977) Abstract-Chemical Abstracts= 88, 136350(1978)
Melting Point 146-147C
Molecular Weight 552.575989
Synonyms BENZOIC ACID, 3-/4-/BENZYLOXY/- 2-/CARBOXYMETHYL/-6-METHOXY-M-TOLUOYL/- 2,4,6-TRIMETHOXY-, DIMETHYL ESTER
Technique KBr WAFER