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4-Isoxazolecarboxylic acid, 2-cyclohexyl-2,3-dihydro-3-phenyl-, methyl ester
SpectraBase Compound ID 8xaVsdTTik
InChI InChI=1S/C17H21NO3/c1-20-17(19)15-12-21-18(14-10-6-3-7-11-14)16(15)13-8-4-2-5-9-13/h2,4-5,8-9,12,14,16H,3,6-7,10-11H2,1H3
InChIKey HISAUVSTPIZJQX-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 INUk3Yceflh
Name 4-Isoxazolecarboxylic acid, 2-cyclohexyl-2,3-dihydro-3-phenyl-, methyl ester
Alternate Name(s) 2-Cyclohexyl-4-methoxycarbonyl-3-phenyl-4-isoxazoline Methyl 2-cyclohexyl-3-phenyl-2,3-dihydro-4-isoxazolecarboxylate
CAS Registry Number 117644-92-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H21NO3
InChI InChI=1S/C17H21NO3/c1-20-17(19)15-12-21-18(14-10-6-3-7-11-14)16(15)13-8-4-2-5-9-13/h2,4-5,8-9,12,14,16H,3,6-7,10-11H2,1H3
InChIKey HISAUVSTPIZJQX-UHFFFAOYSA-N
Molecular Weight 287.359 g/mol
SMILES C=1(C(N(C2CCCCC2)OC1)c1ccccc1)C(=O)OC
SPLASH splash10-004i-4950000000-12780f25ef058d997322
Source of Spectrum F-44-1252-16
Wiley ID 1290906