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N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-3-[(2,5-dichlorophenoxy)methyl]benzamide
SpectraBase Compound ID D7XzucUu8SV
InChI InChI=1S/C27H27Cl2N3O2/c28-22-4-5-23(29)24(12-22)34-16-17-2-1-3-21(11-17)26(33)30-25-6-7-32(31-25)27-13-18-8-19(14-27)10-20(9-18)15-27/h1-7,11-12,18-20H,8-10,13-16H2,(H,30,31,33)/t18-,19+,20-,27-
InChIKey GFJFNVOBBICLMK-ACFKOILWSA-N
Mol Weight 496.44 g/mol
Molecular Formula C27H27Cl2N3O2
Exact Mass 495.148033 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GBXmfFg80Sh
Name N-[1-(1-adamantyl)-1H-pyrazol-3-yl]-3-[(2,5-dichlorophenoxy)methyl]benzamide
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/C27H27Cl2N3O2/c28-22-4-5-23(29)24(12-22)34-16-17-2-1-3-21(11-17)26(33)30-25-6-7-32(31-25)27-13-18-8-19(14-27)10-20(9-18)15-27/h1-7,11-12,18-20H,8-10,13-16H2,(H,30,31,33)/t18-,19+,20-,27-
InChIKey GFJFNVOBBICLMK-ACFKOILWSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UZI_26187_10314
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/1012562; Labnumber: KMB0120; UZI_ID: UZI-010316
Temperature 308 °C