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N-Phenyl-1',3'-dioxo-1-oxa-4,8-dimethylcoumarino[5,6-b]cycloheptano[5',6'-e]-(hexahydro)-isoindole
SpectraBase Compound ID 6xXVKMEzZaG
InChI InChI=1S/C27H23NO5/c1-14-8-23(29)33-25-15(2)24-17(11-20(14)25)9-16-10-21-22(12-18(16)13-32-24)27(31)28(26(21)30)19-6-4-3-5-7-19/h3-8,11-12,16,21-22H,9-10,13H2,1-2H3
InChIKey DGQWYNNUQRSKBT-UHFFFAOYSA-N
Mol Weight 441.48 g/mol
Molecular Formula C27H23NO5
Exact Mass 441.157623 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GGUJKJIrgDw
Name N-Phenyl-1',3'-dioxo-1-oxa-4,8-dimethylcoumarino[5,6-b]cycloheptano[5',6'-e]-(hexahydro)-isoindole
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H23NO5
InChI InChI=1S/C27H23NO5/c1-14-8-23(29)33-25-15(2)24-17(11-20(14)25)9-16-10-21-22(12-18(16)13-32-24)27(31)28(26(21)30)19-6-4-3-5-7-19/h3-8,11-12,16,21-22H,9-10,13H2,1-2H3
InChIKey DGQWYNNUQRSKBT-UHFFFAOYSA-N
Molecular Weight 441.483 g/mol
SMILES C1(N(C(C2CC3Cc4cc5C(=CC(Oc5c(c4OCC3=CC12)C)=O)C)=O)c1ccccc1)=O
SPLASH splash10-0f6x-0090800000-b0d87812f1c27f3ebc31
Source of Spectrum PS-35-377-17
Wiley ID 1584992