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5-Isoxazolecarboxylic acid, 3-benzoyl-2,3-dihydro-2-phenyl-, methyl ester
SpectraBase Compound ID DNmuoIIixbN
InChI InChI=1S/C18H15NO4/c1-22-18(21)16-12-15(17(20)13-8-4-2-5-9-13)19(23-16)14-10-6-3-7-11-14/h2-12,15H,1H3
InChIKey HUAJFUXXOFHRLQ-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 J6BnN6ZeN65
Name 5-Isoxazolecarboxylic acid, 3-benzoyl-2,3-dihydro-2-phenyl-, methyl ester
CAS Registry Number 117644-65-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO4
InChI InChI=1S/C18H15NO4/c1-22-18(21)16-12-15(17(20)13-8-4-2-5-9-13)19(23-16)14-10-6-3-7-11-14/h2-12,15H,1H3
InChIKey HUAJFUXXOFHRLQ-UHFFFAOYSA-N
Molecular Weight 309.321 g/mol
SMILES COC(C1=CC(C(c2ccccc2)=O)N(c2ccccc2)O1)=O
SPLASH splash10-0ftf-4940000000-3658dd7c0eed4abd35a4
Source of Spectrum F-44-1261-14
Synonyms Methyl 3-benzoyl-2-phenyl-2,3-dihydro-5-isoxazolecarboxylate 3-Benzoyl-2-phenyl-3H-isoxazole-5-carboxylic acid methyl ester 3-Benzoyl-2-phenyl-4-isoxazoline-5-carboxylic acid methyl ester Methyl 2-phenyl-3-(phenylcarbonyl)-3H-1,2-oxazole-5-carboxylate Methyl 3-benzoyl-2-phenyl-3H-1,2-oxazole-5-carboxylate Methyl 3-benzoyl-2-phenyl-3H-isoxazole-5-carboxylate
Wiley ID 1310690