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N-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide

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N-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
SpectraBase Compound ID 8BPIWb22nia
InChI InChI=1S/C30H25ClFN3O/c1-19-5-7-21(8-6-19)27-25-4-2-3-17-34-26(20-9-13-23(32)14-10-20)18-35(30(25)34)28(27)29(36)33-24-15-11-22(31)12-16-24/h5-16,18H,2-4,17H2,1H3,(H,33,36)
InChIKey RFRXOGWCRDUWNK-UHFFFAOYSA-N
Mol Weight 498.0 g/mol
Molecular Formula C30H25ClFN3O
Exact Mass 497.167018 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID KAo0seNx4Vp
Name N-(4-chlorophenyl)-4-(4-fluorophenyl)-1-(4-methylphenyl)-5,6,7,8-tetrahydro-2a,4a-diazacyclopenta[cd]azulene-2-carboxamide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H25ClFN3O/c1-19-5-7-21(8-6-19)27-25-4-2-3-17-34-26(20-9-13-23(32)14-10-20)18-35(30(25)34)28(27)29(36)33-24-15-11-22(31)12-16-24/h5-16,18H,2-4,17H2,1H3,(H,33,36)
InChIKey RFRXOGWCRDUWNK-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_28514
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: D87958; Labnumber: SC_0314-1548; SBI_ID: SBI-028518
Temperature 318 °C