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3-(a-carboxy-4,6-dimethoxy-o-toluoyl)-4,6-dimethoxy-2-ethoxy-5-nitrobenzoic acid, dimethyl ester
SpectraBase Compound ID CC7TTKdNIfG
InChI InChI=1S/C24H27NO12/c1-8-37-21-17(22(34-5)19(25(29)30)23(35-6)18(21)24(28)36-7)20(27)16-12(10-15(26)33-4)9-13(31-2)11-14(16)32-3/h9,11H,8,10H2,1-7H3
InChIKey NBBQHQYVJPJUCY-UHFFFAOYSA-N
Mol Weight 521.48 g/mol
Molecular Formula C24H27NO12
Exact Mass 521.153325 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 8GwSwaQdg88
Name 3-(alpha-CARBOXY-4,6-DIMETHOXY-o-TOLUOYL)-4,6-DIMETHOXY-2-ETHOXY-5-NITROBENZOIC ACID, DIMETHYL ESTER
Source of Sample G. J. Thomas, Roche Products Ltd., Welwyne Garden City, Hertfordshire, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H27NO12
InChI InChI=1S/C24H27NO12/c1-8-37-21-17(22(34-5)19(25(29)30)23(35-6)18(21)24(28)36-7)20(27)16-12(10-15(26)33-4)9-13(31-2)11-14(16)32-3/h9,11H,8,10H2,1-7H3
InChIKey NBBQHQYVJPJUCY-UHFFFAOYSA-N
Literature Reference J. CHEM. SOC. PERKIN TRANS. I, 2502(1977) Abstract-Chemical Abstracts= 88, 136350(1978)
Melting Point 84C
Molecular Weight 521.474976
Synonyms BENZOIC ACID, 3-/A-CARBOXY-4,6-DI- METHOXY-O-TOLUOYL/-4,6-DIMETHOXY- 2-ETHOXY-5-NITRO-, DIMETHYL ESTER
Technique FILM (CAST FROM ACETONE)