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1-[4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone
SpectraBase Compound ID DH7T2Ap5kUz
InChI InChI=1S/C24H19Cl2FN2O/c1-14(30)23-22(15-5-8-17(27)9-6-15)18-4-2-3-11-28-21(13-29(23)24(18)28)16-7-10-19(25)20(26)12-16/h5-10,12-13H,2-4,11H2,1H3
InChIKey VBKBNVHXSZCFDU-UHFFFAOYSA-N
Mol Weight 441.33 g/mol
Molecular Formula C24H19Cl2FN2O
Exact Mass 440.085847 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Ed8hmrXmbcp
Name 1-[4-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulen-2-yl]ethanone
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2025 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C24H19Cl2FN2O/c1-14(30)23-22(15-5-8-17(27)9-6-15)18-4-2-3-11-28-21(13-29(23)24(18)28)16-7-10-19(25)20(26)12-16/h5-10,12-13H,2-4,11H2,1H3
InChIKey VBKBNVHXSZCFDU-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28526
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D87975; Labnumber: SC_0314-1680; SBI_ID: SBI-028530
Temperature 318 °C