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3,4,5-Trimethylisoxazole

View entire compound with spectra: 4 NMR, and 3 MS (GC)

3,4,5-Trimethylisoxazole
SpectraBase Compound ID BhfOFFtr3zB
InChI InChI=1S/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3
InChIKey MGHKWBQZEBMFOH-UHFFFAOYSA-N
Mol Weight 111.14 g/mol
Molecular Formula C6H9NO
Exact Mass 111.068414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3aXLObzSM68
Name 3,4,5-Trimethyl-isoxazole
CAS Registry Number 10557-82-1
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C6H9NO
InChI InChI=1S/C6H9NO/c1-4-5(2)7-8-6(4)3/h1-3H3
InChIKey MGHKWBQZEBMFOH-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference G.M. Buchan, A.B. Turner, J. Chem. Soc. Perkin I 2115 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3