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Dicyclopropa[cd,gh]pentalen-1(1aH)-one, hexahydro-1a-phenyl-2-(4-pyridinylcarbonyl)-, (1a.alpha.,1b.alpha.,2.beta.,2a.alpha.,2b.alpha.,2c.beta.,2d.beta.)-
SpectraBase Compound ID WKU6b7Q0Fp
InChI InChI=1S/C20H15NO2/c22-18(10-6-8-21-9-7-10)15-12-13-14(12)19(23)20(16(13)17(15)20)11-4-2-1-3-5-11/h1-9,12-17H
InChIKey ZSZNIWLSGGKQOT-UHFFFAOYSA-N
Mol Weight 301.35 g/mol
Molecular Formula C20H15NO2
Exact Mass 301.110279 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5g9Cy8AOP1D
Name Dicyclopropa[cd,gh]pentalen-1(1ah)-one, hexahydro-1A-phenyl-2-(4-pyridinylcarbonyl)-, (1A.alpha.,1B.alpha.,2.beta.,2A.alpha.,2B.alpha.,2C.beta.,2D.beta.)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 301.110278725 u
Formula C20H15NO2
InChI InChI=1S/C20H15NO2/c22-18(10-6-8-21-9-7-10)15-12-13-14(12)19(23)20(16(13)17(15)20)11-4-2-1-3-5-11/h1-9,12-17H
InChIKey ZSZNIWLSGGKQOT-UHFFFAOYSA-N
SMILES C12(C3C4C(C2=O)C4C(C13)C(=O)C=1C=CN=CC1)C=1C=CC=CC1