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WKUIJNBVNZBYOE-UHFFFAOYSA-N

View entire compound with spectra: 6 NMR, and 1 MS (GC)

WKUIJNBVNZBYOE-UHFFFAOYSA-N
SpectraBase Compound ID 38ShlmnP8DF
InChI InChI=1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-16(19-17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey WKUIJNBVNZBYOE-UHFFFAOYSA-N
Mol Weight 251.28 g/mol
Molecular Formula C16H13NO2
Exact Mass 251.094629 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ErxRKlHfVth
Name Isoxazole, 3-(4-methoxyphenyl)-5-phenyl-
Alternate Name(s) 3-(4-Methoxyphenyl)-5-phenylisoxazole 3-(4-Methoxyphenyl)-5-phenyl-1,2-oxazole
CAS Registry Number 3672-52-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13NO2
InChI InChI=1S/C16H13NO2/c1-18-14-9-7-12(8-10-14)15-11-16(19-17-15)13-5-3-2-4-6-13/h2-11H,1H3
InChIKey WKUIJNBVNZBYOE-UHFFFAOYSA-N
Molecular Weight 251.285 g/mol
SMILES COc1ccc(-c2cc(-c3ccccc3)on2)cc1
SPLASH splash10-0zfr-2930000000-e33148b1cc8d8398e0d0
Source of Spectrum O-3-1520-4
Wiley ID 1254672