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5-Isoxazolecarboxylic acid, 2,3-dihydro-2-(1-methylethyl)-3-phenyl-, methyl ester
SpectraBase Compound ID BhmydkhLugl
InChI InChI=1S/C14H17NO3/c1-10(2)15-12(11-7-5-4-6-8-11)9-13(18-15)14(16)17-3/h4-10,12H,1-3H3
InChIKey HUPMNMKPPICLLM-UHFFFAOYSA-N
Mol Weight 247.29 g/mol
Molecular Formula C14H17NO3
Exact Mass 247.120843 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Gfnv0MMgWwu
Name 5-Isoxazolecarboxylic acid, 2,3-dihydro-2-(1-methylethyl)-3-phenyl-, methyl ester
Alternate Name(s) 2-Isopropyl-5-methoxycarbonyl-3-phenyl-4-isoxazoline Methyl 2-isopropyl-3-phenyl-2,3-dihydro-5-isoxazolecarboxylate
CAS Registry Number 117644-97-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO3
InChI InChI=1S/C14H17NO3/c1-10(2)15-12(11-7-5-4-6-8-11)9-13(18-15)14(16)17-3/h4-10,12H,1-3H3
InChIKey HUPMNMKPPICLLM-UHFFFAOYSA-N
Molecular Weight 247.294 g/mol
SMILES C=1(ON(C(C)C)C(C1)c1ccccc1)C(=O)OC
SPLASH splash10-002r-6930000000-d5834c039fde7e1729e9
Source of Spectrum F-44-1253-21
Wiley ID 1250038