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5-Isoxazolecarboxylic acid, 2-cyclohexyl-2,3-dihydro-3-phenyl-, methyl ester
SpectraBase Compound ID 5HmSL7gbqLV
InChI InChI=1S/C17H21NO3/c1-20-17(19)16-12-15(13-8-4-2-5-9-13)18(21-16)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15H,3,6-7,10-11H2,1H3
InChIKey LYQOPKXBRVQVLS-UHFFFAOYSA-N
Mol Weight 287.36 g/mol
Molecular Formula C17H21NO3
Exact Mass 287.152144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8BS1KsKO55z
Name 5-Isoxazolecarboxylic acid, 2-cyclohexyl-2,3-dihydro-3-phenyl-, methyl ester
CAS Registry Number 117644-95-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-20-17(19)16-12-15(13-8-4-2-5-9-13)18(21-16)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-15H,3,6-7,10-11H2,1H3
InChIKey LYQOPKXBRVQVLS-UHFFFAOYSA-N
Molecular Weight 287.359 g/mol
SMILES C=1(ON(C2CCCCC2)C(C1)c1ccccc1)C(=O)OC
SPLASH splash10-004i-5950000000-69466f80f3ddb3b3a136
Source of Spectrum F-44-1252-19
Synonyms 2-Cyclohexyl-5-methoxycarbonyl-3-phenyl-4-isoxazoline Methyl 2-cyclohexyl-3-phenyl-2,3-dihydro-5-isoxazolecarboxylate
Wiley ID 1290907