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N-{1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl}-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
SpectraBase Compound ID 8UDyjkEcyJ7
InChI InChI=1S/C27H35N7O/c35-24(26-13-20-12-21(14-26)16-27(15-20,17-26)34-19-28-18-29-34)31-25-30-22-6-2-3-7-23(22)33(25)11-10-32-8-4-1-5-9-32/h2-3,6-7,18-21H,1,4-5,8-17H2,(H,30,31,35)/t20-,21+,26+,27-
InChIKey BWOBJPWWGHJJJO-OPIFHRFKSA-N
Mol Weight 473.6 g/mol
Molecular Formula C27H35N7O
Exact Mass 473.290309 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HNcLU4nzyv2
Name N-{1-[2-(1-piperidinyl)ethyl]-1H-benzimidazol-2-yl}-3-(1H-1,2,4-triazol-1-yl)-1-adamantanecarboxamide
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/C27H35N7O/c35-24(26-13-20-12-21(14-26)16-27(15-20,17-26)34-19-28-18-29-34)31-25-30-22-6-2-3-7-23(22)33(25)11-10-32-8-4-1-5-9-32/h2-3,6-7,18-21H,1,4-5,8-17H2,(H,30,31,35)/t20-,21+,26+,27-
InChIKey BWOBJPWWGHJJJO-OPIFHRFKSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_11364
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/9089426; UBI_ID: UBI-011367
Temperature 308 °C