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2-[4-acetyl-phenyl]-3a,4,9,9a-tetrahydro-4,9-benzeno-benz[f]isoindole-1,3-dione
SpectraBase Compound ID LUouaxfeuR9
InChI InChI=1S/C26H19NO3/c1-16(28)17-11-13-20(14-12-17)27-25(29)22-15-19-9-5-6-10-21(19)23(24(22)26(27)30)18-7-3-2-4-8-18/h2-15,22,24H,1H3
InChIKey LISBSDPIOVOFGB-UHFFFAOYSA-N
Mol Weight 393.44 g/mol
Molecular Formula C26H19NO3
Exact Mass 393.136493 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KcJSl3P4MTD
Name 2-[4-acetyl-phenyl]-3a,4,9,9a-tetrahydro-4,9-benzeno-benz[f]isoindole-1,3-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H19NO3
InChI InChI=1S/C26H19NO3/c1-16(28)17-11-13-20(14-12-17)27-25(29)22-15-19-9-5-6-10-21(19)23(24(22)26(27)30)18-7-3-2-4-8-18/h2-15,22,24H,1H3
InChIKey LISBSDPIOVOFGB-UHFFFAOYSA-N
Molecular Weight 393.442 g/mol
SMILES C1(N(C(C2C=C3C=CC=CC3=C(C12)c1ccccc1)=O)c1ccc(C(=O)C)cc1)=O
SPLASH splash10-004i-0910000000-9d25c8aff00986ab7aaa
Source of Spectrum F2-45-1556-2
Wiley ID 1703298