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3(2H)-Isoxazolone, 2-cyclohexyl-4,5-diphenyl-
SpectraBase Compound ID Gxj4IcG8Gbp
InChI InChI=1S/C21H21NO2/c23-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-22(21)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKey OXABSDXRYYOZIK-UHFFFAOYSA-N
Mol Weight 319.4 g/mol
Molecular Formula C21H21NO2
Exact Mass 319.157229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1KZrGsxJr3Q
Name 3(2H)-Isoxazolone, 2-cyclohexyl-4,5-diphenyl-
Alternate Name(s) 2-cyclohexyl-4,5-diphenyl-3(2H)-isoxazolone 2-Hexyl-4,5-diphenyllisoxazol-3(2H)-one 3-c-hexyl-4,5-diphenylisoxazol-3(2H)-one
CAS Registry Number 112175-87-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21NO2
InChI InChI=1S/C21H21NO2/c23-21-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-22(21)18-14-8-3-9-15-18/h1-2,4-7,10-13,18H,3,8-9,14-15H2
InChIKey OXABSDXRYYOZIK-UHFFFAOYSA-N
Molecular Weight 319.404 g/mol
SMILES C=1(C(N(C2CCCCC2)OC1c1ccccc1)=O)c1ccccc1
SPLASH splash10-000i-1391000000-5c5dd0d8f7bd93f4cf0f
Source of Spectrum KC-1987-964-6
Wiley ID 1319528