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4-[3-Phenyl-3H-naphtho[2,1-b]pyran-3-yl]-4'-(1-hydroxy-1-phenylprop-2-yn-1-yl)diphenyl ether
SpectraBase Compound ID 9zqczfvNOsV
InChI InChI=1S/C40H28O3/c1-2-39(41,30-12-5-3-6-13-30)31-18-22-34(23-19-31)42-35-24-20-33(21-25-35)40(32-14-7-4-8-15-32)28-27-37-36-16-10-9-11-29(36)17-26-38(37)43-40/h1,3-28,41H
InChIKey JIECTEINGFEWSO-UHFFFAOYSA-N
Mol Weight 556.7 g/mol
Molecular Formula C40H28O3
Exact Mass 556.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FSfnPhKaTr7
Name 4-[3-Phenyl-3H-naphtho[2,1-b]pyran-3-yl]-4'-(1-hydroxy-1-phenylprop-2-yn-1-yl)diphenyl ether
Alternate Name(s) 1-Phenyl-1-{4-[4-(3-phenyl-3H-benzo[f]chromen-3-yl)phenoxy]phenyl}-2-propyn-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H28O3
InChI InChI=1S/C40H28O3/c1-2-39(41,30-12-5-3-6-13-30)31-18-22-34(23-19-31)42-35-24-20-33(21-25-35)40(32-14-7-4-8-15-32)28-27-37-36-16-10-9-11-29(36)17-26-38(37)43-40/h1,3-28,41H
InChIKey JIECTEINGFEWSO-UHFFFAOYSA-N
Molecular Weight 556.661 g/mol
SMILES OC(c1ccc(Oc2ccc(C3(Oc4ccc5c(c4C=C3)cccc5)c3ccccc3)cc2)cc1)(C#C)c1ccccc1
SPLASH splash10-0a4i-0020290000-425ae29678f8825a8842
Source of Spectrum KC-61-11740-4
Wiley ID 1631504