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4-Isoxazolecarboxylic acid, 2,3-dihydro-3-(4-nitrophenyl)-2-phenyl-, ethyl ester
SpectraBase Compound ID JlkADABQfJh
InChI InChI=1S/C18H16N2O5/c1-2-24-18(21)16-12-25-19(14-6-4-3-5-7-14)17(16)13-8-10-15(11-9-13)20(22)23/h3-12,17H,2H2,1H3
InChIKey OJDMYTCOLVQQLD-UHFFFAOYSA-N
Mol Weight 340.34 g/mol
Molecular Formula C18H16N2O5
Exact Mass 340.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4TtX8Yh66wr
Name 4-Isoxazolecarboxylic acid, 2,3-dihydro-3-(4-nitrophenyl)-2-phenyl-, ethyl ester
Alternate Name(s) Ethyl 3-(4-nitrophenyl)-2-phenyl-2,3-dihydro-4-isoxazolecarboxylate 3-(4-nitrophenyl)-2-phenyl-3H-isoxazole-4-carboxylic acid ethyl ester 3-(4-nitrophenyl)-2-phenyl-4-isoxazoline-4-carboxylic acid ethyl ester Ethyl 3-(4-nitrophenyl)-2-phenyl-3H-1,2-oxazole-4-carboxylate Ethyl 3-(4-nitrophenyl)-2-phenyl-3H-isoxazole-4-carboxylate
CAS Registry Number 117644-91-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16N2O5
InChI InChI=1S/C18H16N2O5/c1-2-24-18(21)16-12-25-19(14-6-4-3-5-7-14)17(16)13-8-10-15(11-9-13)20(22)23/h3-12,17H,2H2,1H3
InChIKey OJDMYTCOLVQQLD-UHFFFAOYSA-N
Molecular Weight 340.335 g/mol
SMILES CCOC(C1=CON(c2ccccc2)C1c1ccc(cc1)N(=O)=O)=O
SPLASH splash10-014l-4392000000-44e00981cf5853a81ce1
Source of Spectrum F-44-1252-15
Wiley ID 1335048