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3-Bromopropyl [3-(5-Chlorofuran-2-yl)-4-phenylisoxazole-5-yl]carboxylate
SpectraBase Compound ID 5To8y2Wlu0B
InChI InChI=1S/C17H13BrClNO4/c18-9-4-10-22-17(21)16-14(11-5-2-1-3-6-11)15(20-24-16)12-7-8-13(19)23-12/h1-3,5-8H,4,9-10H2
InChIKey AYJFNLXAJOHMFY-UHFFFAOYSA-N
Mol Weight 410.65 g/mol
Molecular Formula C17H13BrClNO4
Exact Mass 408.971649 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JALF5ksxt5g
Name 3-Bromopropyl [3-(5-Chlorofuran-2-yl)-4-phenylisoxazole-5-yl]carboxylate
Appearance White solid
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Formula C17H13BrClNO4
InChI InChI=1S/C17H13BrClNO4/c18-9-4-10-22-17(21)16-14(11-5-2-1-3-6-11)15(20-24-16)12-7-8-13(19)23-12/h1-3,5-8H,4,9-10H2
InChIKey AYJFNLXAJOHMFY-UHFFFAOYSA-N
Instrument Name HP 5995C
Ionization Type EI
Literature Reference DOI 10.1021/jm301905a
Molecular Weight 410.651 g/mol
SMILES c1(oc(cc1)Cl)-c1noc(c1-c1ccccc1)C(=O)OCCCBr
SPLASH splash10-0002-4920100000-7d89b41483111a449f71
Source of Spectrum AF-56-4294-3o
Wiley ID 1854528