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4(5H)-Isoxazolone, 5,5-dimethyl-3-(2,4,6-trimethylphenyl)-
SpectraBase Compound ID Hagvl8jx5pn
InChI InChI=1S/C14H17NO2/c1-8-6-9(2)11(10(3)7-8)12-13(16)14(4,5)17-15-12/h6-7H,1-5H3
InChIKey QGAPPMNYLDMIDS-UHFFFAOYSA-N
Mol Weight 231.29 g/mol
Molecular Formula C14H17NO2
Exact Mass 231.125929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9Z86FPcw4e8
Name 4(5H)-Isoxazolone, 5,5-dimethyl-3-(2,4,6-trimethylphenyl)-
Alternate Name(s) 3-Mesityl-5,5-dimethyl-4(5H)-isoxazolone 5,5-Dimethyl-3-(2,4,6-trimethylphenyl)-2-isoxazolin-4-on
CAS Registry Number 102096-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H17NO2
InChI InChI=1S/C14H17NO2/c1-8-6-9(2)11(10(3)7-8)12-13(16)14(4,5)17-15-12/h6-7H,1-5H3
InChIKey QGAPPMNYLDMIDS-UHFFFAOYSA-N
Molecular Weight 231.295 g/mol
SMILES C1(=NOC(C1=O)(C)C)c1c(cc(cc1C)C)C
SPLASH splash10-001j-0920000000-149fa2992f6c242ade71
Source of Spectrum K-119-572-9
Wiley ID 1232912