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9-chloro-5-[9-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)oxynonyl]-5H-isochromeno[4,3-b]chromen-7-one
SpectraBase Compound ID 4vCMFB8Dv5R
InChI InChI=1S/C40H34Cl2O6/c41-26-18-20-33-30(23-26)35(43)39(37(46-33)25-13-7-6-8-14-25)45-22-12-5-3-1-2-4-9-17-32-28-15-10-11-16-29(28)38-40(48-32)36(44)31-24-27(42)19-21-34(31)47-38/h6-8,10-11,13-16,18-21,23-24,32H,1-5,9,12,17,22H2
InChIKey YINJYOAOPJUVLM-UHFFFAOYSA-N
Mol Weight 681.6 g/mol
Molecular Formula C40H34Cl2O6
Exact Mass 680.173244 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9TXafP4opGn
Name 9-chloro-5-[9-(6-chloro-4-oxo-2-phenyl-chromen-3-yl)oxynonyl]-5H-isochromeno[4,3-b]chromen-7-one
Appearance Pale yellow solid
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H34Cl2O6
InChI InChI=1S/C40H34Cl2O6/c41-26-18-20-33-30(23-26)35(43)39(37(46-33)25-13-7-6-8-14-25)45-22-12-5-3-1-2-4-9-17-32-28-15-10-11-16-29(28)38-40(48-32)36(44)31-24-27(42)19-21-34(31)47-38/h6-8,10-11,13-16,18-21,23-24,32H,1-5,9,12,17,22H2
InChIKey YINJYOAOPJUVLM-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.f04
Molecular Weight 681.612 g/mol
SMILES c1cc2c(cc1Cl)C(C1=C(O2)c2c(C(O1)CCCCCCCCCOC1=C(Oc3c(C1=O)cc(cc3)Cl)c1ccccc1)cccc2)=O
SPLASH splash10-00e9-0290000000-82247b1d828dbd9f8287
Source of Spectrum ARK-2006-35-8
Wiley ID 1871204