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4-Isoxazolecarboxylic acid, 3-benzoyl-2,3-dihydro-2-phenyl-, methyl ester
SpectraBase Compound ID KDPdfhbUx8l
InChI InChI=1S/C18H15NO4/c1-22-18(21)15-12-23-19(14-10-6-3-7-11-14)16(15)17(20)13-8-4-2-5-9-13/h2-12,16H,1H3
InChIKey HKMWSBBYUSLGTA-UHFFFAOYSA-N
Mol Weight 309.32 g/mol
Molecular Formula C18H15NO4
Exact Mass 309.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFVf0cJxWPF
Name 4-Isoxazolecarboxylic acid, 3-benzoyl-2,3-dihydro-2-phenyl-, methyl ester
CAS Registry Number 117644-60-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO4
InChI InChI=1S/C18H15NO4/c1-22-18(21)15-12-23-19(14-10-6-3-7-11-14)16(15)17(20)13-8-4-2-5-9-13/h2-12,16H,1H3
InChIKey HKMWSBBYUSLGTA-UHFFFAOYSA-N
Molecular Weight 309.321 g/mol
SMILES COC(C1=CON(c2ccccc2)C1C(c1ccccc1)=O)=O
SPLASH splash10-0f9i-3980000000-a3cf226646caf5405c32
Source of Spectrum F-44-1260-9
Synonyms Methyl 3-benzoyl-2-phenyl-2,3-dihydro-4-isoxazolecarboxylate 3-Benzoyl-2-phenyl-3H-isoxazole-4-carboxylic acid methyl ester 3-Benzoyl-2-phenyl-4-isoxazoline-4-carboxylic acid methyl ester Methyl 2-phenyl-3-(phenylcarbonyl)-3H-1,2-oxazole-4-carboxylate Methyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-4-carboxylate Methyl 3-benzoyl-2-phenyl-3H-isoxazole-4-carboxylate
Wiley ID 1310689