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Isoxazole, 3,4-dimethyl-5-(4-methylphenyl)-
SpectraBase Compound ID lE6mfMsuPD
InChI InChI=1S/C12H13NO/c1-8-4-6-11(7-5-8)12-9(2)10(3)13-14-12/h4-7H,1-3H3
InChIKey VCDBCBHZUQJKQD-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 B2i3T24r8aG
Name Isoxazole, 3,4-dimethyl-5-(4-methylphenyl)-
Alternate Name(s) 3,4-Dimethyl-5-(4-methylphenyl)isoxazole 3,4-Dimethyl-5-(4-methylphenyl)-1,2-oxazole
CAS Registry Number 61314-43-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-8-4-6-11(7-5-8)12-9(2)10(3)13-14-12/h4-7H,1-3H3
InChIKey VCDBCBHZUQJKQD-UHFFFAOYSA-N
Molecular Weight 187.242 g/mol
SMILES c1(c(c(C)no1)C)-c1ccc(cc1)C
SPLASH splash10-014r-5900000000-4e804a7fea1e8e6f6937
Source of Spectrum H-59-1719-8
Wiley ID 1183912