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2-s-Benzyl-6-(4-methoxyphenyl)-4-[2H-4-hydroxy-2-oxo[1]benzopyran-3-yl]pyrimidine
SpectraBase Compound ID Eayq6j8HfgV
InChI InChI=1S/C27H20N2O4S/c1-32-19-13-11-18(12-14-19)21-15-22(29-27(28-21)34-16-17-7-3-2-4-8-17)24-25(30)20-9-5-6-10-23(20)33-26(24)31/h2-15,30H,16H2,1H3
InChIKey QOGIPTNQNGLZHV-UHFFFAOYSA-N
Mol Weight 468.53 g/mol
Molecular Formula C27H20N2O4S
Exact Mass 468.114378 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXBCfSvZr2g
Name 2-s-Benzyl-6-(4-methoxyphenyl)-4-[2H-4-hydroxy-2-oxo[1]benzopyran-3-yl]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H20N2O4S
InChI InChI=1S/C27H20N2O4S/c1-32-19-13-11-18(12-14-19)21-15-22(29-27(28-21)34-16-17-7-3-2-4-8-17)24-25(30)20-9-5-6-10-23(20)33-26(24)31/h2-15,30H,16H2,1H3
InChIKey QOGIPTNQNGLZHV-UHFFFAOYSA-N
Molecular Weight 468.527 g/mol
SMILES OC1=C(C(Oc2ccccc12)=O)c1nc(SCc2ccccc2)nc(c1)-c1ccc(cc1)OC
SPLASH splash10-004i-7910100000-a4c3cbd94d1f20a60ce9
Source of Spectrum Y1-42-2094-5
Wiley ID 1565283