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9-chloro-5-[8-(9-chloro-7-oxo-5H-isochromeno[4,3-b]chromen-5-yl)octyl]-5H-isochromeno[4,3-b]chromen-7-one
SpectraBase Compound ID EXhxIBPcF57
InChI InChI=1S/C40H32Cl2O6/c41-23-17-19-33-29(21-23)35(43)39-37(45-33)27-13-9-7-11-25(27)31(47-39)15-5-3-1-2-4-6-16-32-26-12-8-10-14-28(26)38-40(48-32)36(44)30-22-24(42)18-20-34(30)46-38/h7-14,17-22,31-32H,1-6,15-16H2
InChIKey FNJZSZYMMDJVIW-UHFFFAOYSA-N
Mol Weight 679.6 g/mol
Molecular Formula C40H32Cl2O6
Exact Mass 678.157594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LpGxfrKZOAZ
Name 9-chloro-5-[8-(9-chloro-7-oxo-5H-isochromeno[4,3-b]chromen-5-yl)octyl]-5H-isochromeno[4,3-b]chromen-7-one
Appearance Pale yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C40H32Cl2O6
InChI InChI=1S/C40H32Cl2O6/c41-23-17-19-33-29(21-23)35(43)39-37(45-33)27-13-9-7-11-25(27)31(47-39)15-5-3-1-2-4-6-16-32-26-12-8-10-14-28(26)38-40(48-32)36(44)30-22-24(42)18-20-34(30)46-38/h7-14,17-22,31-32H,1-6,15-16H2
InChIKey FNJZSZYMMDJVIW-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.3998/ark.5550190.0007.f04
Molecular Weight 679.596 g/mol
SMILES c1cc2c(cc1Cl)C(C1=C(O2)c2c(C(O1)CCCCCCCCC1OC3=C(Oc4c(C3=O)cc(cc4)Cl)c3ccccc13)cccc2)=O
SPLASH splash10-001i-0190001000-b8f8c3ad953af57d7d08
Source of Spectrum ARK-2006-35-9
Wiley ID 1871205