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4'-(4-Methoxyphenyl)-3'-(4-methylphenyl)-4'H-spiro[isochromen-3,5'-isoxazol]-4(1H)-one
SpectraBase Compound ID 9NQnCJA8itq
InChI InChI=1S/C25H21NO4/c1-16-7-9-18(10-8-16)23-22(17-11-13-20(28-2)14-12-17)25(30-26-23)24(27)21-6-4-3-5-19(21)15-29-25/h3-14,22H,15H2,1-2H3
InChIKey XPCJYHLCVKDLON-UHFFFAOYSA-N
Mol Weight 399.45 g/mol
Molecular Formula C25H21NO4
Exact Mass 399.147058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7Pw4QKKqNv1
Name 4'-(4-Methoxyphenyl)-3'-(4-methylphenyl)-4'H-spiro[isochromen-3,5'-isoxazol]-4(1H)-one
Appearance White powder
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H21NO4
InChI InChI=1S/C25H21NO4/c1-16-7-9-18(10-8-16)23-22(17-11-13-20(28-2)14-12-17)25(30-26-23)24(27)21-6-4-3-5-19(21)15-29-25/h3-14,22H,15H2,1-2H3
InChIKey XPCJYHLCVKDLON-UHFFFAOYSA-N
Instrument Name Hewlett-Packard 5989A
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0009.c05
Molecular Weight 399.446 g/mol
SMILES COc1ccc(cc1)C1C(=NOC11C(c2c(CO1)cccc2)=O)c1ccc(cc1)C
SPLASH splash10-014i-1901000000-d6c1d98a0bd1b7b37919
Source of Spectrum ARK-2008-48-8
Wiley ID 1869023