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1-(2-furoyl)-4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}piperazine
SpectraBase Compound ID IKrMTWHurQl
InChI InChI=1S/C22H26N6O5/c29-18(17-2-1-7-33-17)25-3-5-26(6-4-25)19(30)21-9-15-8-16(10-21)12-22(11-15,13-21)27-14-23-20(24-27)28(31)32/h1-2,7,14-16H,3-6,8-13H2/t15-,16+,21+,22-
InChIKey MXCTZZAQVVKSEC-WGKKAQPQSA-N
Mol Weight 454.49 g/mol
Molecular Formula C22H26N6O5
Exact Mass 454.196468 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LQwm790hGX4
Name 1-(2-furoyl)-4-{[3-(3-nitro-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}piperazine
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/C22H26N6O5/c29-18(17-2-1-7-33-17)25-3-5-26(6-4-25)19(30)21-9-15-8-16(10-21)12-22(11-15,13-21)27-14-23-20(24-27)28(31)32/h1-2,7,14-16H,3-6,8-13H2/t15-,16+,21+,22-
InChIKey MXCTZZAQVVKSEC-WGKKAQPQSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19551
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/9144787; UBI_ID: UBI-019555
Temperature 308 °C