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4-Isoxazolecarboxylic acid, 5-(2-hydroxyphenyl)-3-(2,4,6-trimethylphenyl)-, ethyl ester
SpectraBase Compound ID GV4ZcgcCfe3
InChI InChI=1S/C21H21NO4/c1-5-25-21(24)18-19(17-13(3)10-12(2)11-14(17)4)22-26-20(18)15-8-6-7-9-16(15)23/h6-11,23H,5H2,1-4H3
InChIKey VKXKQWDSFLEMSX-UHFFFAOYSA-N
Mol Weight 351.4 g/mol
Molecular Formula C21H21NO4
Exact Mass 351.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Nj6uMGxbG3
Name 4-Isoxazolecarboxylic acid, 5-(2-hydroxyphenyl)-3-(2,4,6-trimethylphenyl)-, ethyl ester
CAS Registry Number 129207-87-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO4
InChI InChI=1S/C21H21NO4/c1-5-25-21(24)18-19(17-13(3)10-12(2)11-14(17)4)22-26-20(18)15-8-6-7-9-16(15)23/h6-11,23H,5H2,1-4H3
InChIKey VKXKQWDSFLEMSX-UHFFFAOYSA-N
Molecular Weight 351.402 g/mol
SMILES Oc1c(-c2c(c(no2)-c2c(cc(cc2C)C)C)C(=O)OCC)cccc1
SPLASH splash10-0ab9-0509000000-3f01904ad0b07a022804
Source of Spectrum Y-27-772-10
Synonyms Ethyl 3-(2,4,6-trimethylphenyl)-5-(2-hydroxyphenyl)-4-isoxazolecarboxylate Ethyl 5-(2-hydroxyphenyl)-3-mesityl-4-isoxazolecarboxylate
Wiley ID 1342681