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Benzoic acid, 3,3'-[(2-hydroxy-5-nitro-1,3-phenylene)bis(methylene)]bis[4-hydroxy-, diethyl ester
SpectraBase Compound ID 6PpdpbjjsEf
InChI InChI=1S/C26H25NO9/c1-3-35-25(31)15-5-7-22(28)17(9-15)11-19-13-21(27(33)34)14-20(24(19)30)12-18-10-16(6-8-23(18)29)26(32)36-4-2/h5-10,13-14,28-30H,3-4,11-12H2,1-2H3
InChIKey SMYJXOONLHXRPK-UHFFFAOYSA-N
Mol Weight 495.48 g/mol
Molecular Formula C26H25NO9
Exact Mass 495.152931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HIxkavIQq2R
Name Benzoic acid, 3,3'-[(2-hydroxy-5-nitro-1,3-phenylene)bis(methylene)]bis[4-hydroxy-, diethyl ester
CAS Registry Number 127679-83-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H25NO9
InChI InChI=1S/C26H25NO9/c1-3-35-25(31)15-5-7-22(28)17(9-15)11-19-13-21(27(33)34)14-20(24(19)30)12-18-10-16(6-8-23(18)29)26(32)36-4-2/h5-10,13-14,28-30H,3-4,11-12H2,1-2H3
InChIKey SMYJXOONLHXRPK-UHFFFAOYSA-N
Molecular Weight 495.484 g/mol
SMILES Oc1ccc(cc1Cc1cc(cc(Cc2c(ccc(c2)C(=O)OCC)O)c1O)N(=O)=O)C(=O)OCC
SPLASH splash10-00di-0901100000-f31dd34bac223445c7d1
Source of Spectrum F-46-678-12
Synonyms 2,6-bis[(5-ethoxycarbonyl-2-hydroxyphenyl)methyl]-4-nitrophenol Ethyl 3-{3-[5-(ethoxycarbonyl)-2-hydroxybenzyl]-2-hydroxy-5-nitrobenzyl}-4-hydroxybenzoate
Wiley ID 1398073