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5-Acetoxymethyl-3-(5-chlorofuran-2-yl)-4-phenylisoxazole
SpectraBase Compound ID 4TISMpXLQxi
InChI InChI=1S/C16H12ClNO4/c1-10(19)20-9-13-15(11-5-3-2-4-6-11)16(18-22-13)12-7-8-14(17)21-12/h2-8H,9H2,1H3
InChIKey QHXHUHXSKMAPFQ-UHFFFAOYSA-N
Mol Weight 317.73 g/mol
Molecular Formula C16H12ClNO4
Exact Mass 317.045486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6IT2UpYmIIX
Name 5-Acetoxymethyl-3-(5-chlorofuran-2-yl)-4-phenylisoxazole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12ClNO4
InChI InChI=1S/C16H12ClNO4/c1-10(19)20-9-13-15(11-5-3-2-4-6-11)16(18-22-13)12-7-8-14(17)21-12/h2-8H,9H2,1H3
InChIKey QHXHUHXSKMAPFQ-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1021/jm301905a
Molecular Weight 317.728 g/mol
SMILES c1(oc(cc1)Cl)-c1noc(c1-c1ccccc1)COC(C)=O
SPLASH splash10-02t9-2493000000-a721c5726df687adf823
Source of Spectrum AF-56-4294-3m
Wiley ID 1854526