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9-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
SpectraBase Compound ID FeIIJ6QWTkn
InChI InChI=1S/C26H27ClN2O3/c1-25(2)9-17(30)22-19(11-25)32-20-12-26(3,4)10-18(31)23(20)21(22)16-13-28-29-24(16)14-5-7-15(27)8-6-14/h5-8,13,21H,9-12H2,1-4H3,(H,28,29)
InChIKey POANNVAKCGNANT-UHFFFAOYSA-N
Mol Weight 450.97 g/mol
Molecular Formula C26H27ClN2O3
Exact Mass 450.17102 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Cvkej03622n
Name 9-[3-(4-chlorophenyl)-1H-pyrazol-4-yl]-3,3,6,6-tetramethyl-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
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/C26H27ClN2O3/c1-25(2)9-17(30)22-19(11-25)32-20-12-26(3,4)10-18(31)23(20)21(22)16-13-28-29-24(16)14-5-7-15(27)8-6-14/h5-8,13,21H,9-12H2,1-4H3,(H,28,29)
InChIKey POANNVAKCGNANT-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_8589
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: UZI/1135014; Labnumber: DICO-ALD/0080; UZI_ID: UZI-008591
Temperature 318 °C