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KKOXXKHZBQIPJF-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR, and 2 MS (GC)

KKOXXKHZBQIPJF-UHFFFAOYSA-N
SpectraBase Compound ID 7VMGrAClvt3
InChI InChI=1S/C16H13NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-11H,1H3
InChIKey KKOXXKHZBQIPJF-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID n34hsYjXAE
Name 3-Phenyl-5-(4-methoxyphenyl)-isoxazole
CAS Registry Number 3672-51-3
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-18-14-9-7-13(8-10-14)16-11-15(17-19-16)12-5-3-2-4-6-12/h2-11H,1H3
InChIKey KKOXXKHZBQIPJF-UHFFFAOYSA-N
Instrument Name Jeol FX-60
Literature Reference D.R. Chrisope, R.A. Keel, J. Heterocycl. Chem. 18, 795 (1981).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6