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Isoxazole, 3,4-dimethyl-5-(3-methylphenyl)-
SpectraBase Compound ID 5STlJMZtYDJ
InChI InChI=1S/C12H13NO/c1-8-5-4-6-11(7-8)12-9(2)10(3)13-14-12/h4-7H,1-3H3
InChIKey RKPYUOUVRYIKEV-UHFFFAOYSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IbigXI94Wrw
Name Isoxazole, 3,4-dimethyl-5-(3-methylphenyl)-
Alternate Name(s) 3,4-Dimethyl-5-(3-methylphenyl)isoxazole 3,4-Dimethyl-5-(3-methylphenyl)-1,2-oxazole
CAS Registry Number 61314-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-8-5-4-6-11(7-8)12-9(2)10(3)13-14-12/h4-7H,1-3H3
InChIKey RKPYUOUVRYIKEV-UHFFFAOYSA-N
Molecular Weight 187.242 g/mol
SMILES c1(c(c(C)no1)C)-c1cc(C)ccc1
SPLASH splash10-014r-3900000000-15250ada8aac2855d4e9
Source of Spectrum H-59-1719-8
Wiley ID 1183911