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4-Isoxazolecarboxylic acid, 2,3-dihydro-3-(4-nitrophenyl)-2-phenyl-, methyl ester
SpectraBase Compound ID LWjbycqj6az
InChI InChI=1S/C17H14N2O5/c1-23-17(20)15-11-24-18(13-5-3-2-4-6-13)16(15)12-7-9-14(10-8-12)19(21)22/h2-11,16H,1H3
InChIKey NPRIGUQOURJKAY-UHFFFAOYSA-N
Mol Weight 326.31 g/mol
Molecular Formula C17H14N2O5
Exact Mass 326.090272 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aMbfQWTq4Y
Name 4-Isoxazolecarboxylic acid, 2,3-dihydro-3-(4-nitrophenyl)-2-phenyl-, methyl ester
CAS Registry Number 117644-90-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14N2O5
InChI InChI=1S/C17H14N2O5/c1-23-17(20)15-11-24-18(13-5-3-2-4-6-13)16(15)12-7-9-14(10-8-12)19(21)22/h2-11,16H,1H3
InChIKey NPRIGUQOURJKAY-UHFFFAOYSA-N
Molecular Weight 326.308 g/mol
SMILES C=1(C(N(c2ccccc2)OC1)c1ccc(N(=O)=O)cc1)C(=O)OC
SPLASH splash10-00mx-5691000000-e938e94f88ca34ce4afd
Source of Spectrum F-44-1252-14
Synonyms 4-Methoxycarbonyl-3-p-nitrophenyl-2-phenyl-4-isoxazoline Methyl 3-(4-nitrophenyl)-2-phenyl-2,3-dihydro-4-isoxazolecarboxylate
Wiley ID 1324628