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4-Isoxazolecarboxylic acid, 2-cyclohexyl-2,3-dihydro-3-phenyl-, ethyl ester
SpectraBase Compound ID 5CF1mIyv3lg
InChI InChI=1S/C18H23NO3/c1-2-21-18(20)16-13-22-19(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3,5-6,9-10,13,15,17H,2,4,7-8,11-12H2,1H3
InChIKey XNKLYJVNJVDRRC-UHFFFAOYSA-N
Mol Weight 301.39 g/mol
Molecular Formula C18H23NO3
Exact Mass 301.167794 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5U8krB0Np2m
Name 4-Isoxazolecarboxylic acid, 2-cyclohexyl-2,3-dihydro-3-phenyl-, ethyl ester
Alternate Name(s) 2-Cyclohexyl-4-ethoxycarbonyl-3-phenyl-4-isoxazoline Ethyl 2-cyclohexyl-3-phenyl-2,3-dihydro-4-isoxazolecarboxylate
CAS Registry Number 117644-93-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H23NO3
InChI InChI=1S/C18H23NO3/c1-2-21-18(20)16-13-22-19(15-11-7-4-8-12-15)17(16)14-9-5-3-6-10-14/h3,5-6,9-10,13,15,17H,2,4,7-8,11-12H2,1H3
InChIKey XNKLYJVNJVDRRC-UHFFFAOYSA-N
Molecular Weight 301.386 g/mol
SMILES C=1(C(N(C2CCCCC2)OC1)c1ccccc1)C(=O)OCC
SPLASH splash10-0fb9-6292000000-039455c52080830b25ae
Source of Spectrum F-44-1252-17
Wiley ID 1303954