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Dicyclopropa[cd,gh]pentalen-1(1aH)-one, hexahydro-2-(4-nitrobenzoyl)-1a-phenyl-, (1a.alpha.,1b.alpha.,2.beta.,2a.alpha.,2b.alpha.,2c.beta.,2d.beta.)-
SpectraBase Compound ID IeESdNW0kmB
InChI InChI=1S/C21H15NO4/c23-19(10-6-8-12(9-7-10)22(25)26)16-13-14-15(13)20(24)21(17(14)18(16)21)11-4-2-1-3-5-11/h1-9,13-18H
InChIKey OZMBCTMBLYROIX-UHFFFAOYSA-N
Mol Weight 345.35 g/mol
Molecular Formula C21H15NO4
Exact Mass 345.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FVTuetq7rG
Name Dicyclopropa[cd,gh]pentalen-1(1aH)-one, hexahydro-2-(4-nitrobenzoyl)-1a-phenyl-, (1a.alpha.,1b.alpha.,2.beta.,2a.alpha.,2b.alpha.,2c.beta.,2d.beta.)-
CAS Registry Number 98386-43-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H15NO4
InChI InChI=1S/C21H15NO4/c23-19(10-6-8-12(9-7-10)22(25)26)16-13-14-15(13)20(24)21(17(14)18(16)21)11-4-2-1-3-5-11/h1-9,13-18H
InChIKey OZMBCTMBLYROIX-UHFFFAOYSA-N
Molecular Weight 345.354 g/mol
SMILES C12(C3C4C(C2=O)C4C(C13)C(c1ccc(N(=O)=O)cc1)=O)c1ccccc1
SPLASH splash10-0gb9-1902000000-59bf14db34cd12a3fd1f
Source of Spectrum K-118-2961-4
Synonyms 2-(4-nitrobenzoyl)-1a-phenylhexahydrodicyclopropa[cd,gh]pentalen-1(1aH)-one endo-7-(4-nitrobenzoyl)-2-phenyltetracyclo[3.3.0.0(2,8).0(4,6)]octan-3-one
Wiley ID 1338746