For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-{[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}indoline
SpectraBase Compound ID GnSrgEupCNH
InChI InChI=1S/C21H23BrN4O/c22-19-23-13-26(24-19)21-10-14-7-15(11-21)9-20(8-14,12-21)18(27)25-6-5-16-3-1-2-4-17(16)25/h1-4,13-15H,5-12H2/t14-,15+,20+,21-
InChIKey RGMHFOMZFDJPBL-ZFJWPNLUSA-N
Mol Weight 427.35 g/mol
Molecular Formula C21H23BrN4O
Exact Mass 426.105524 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4D6rk143s9f
Name 1-{[3-(3-bromo-1H-1,2,4-triazol-1-yl)-1-adamantyl]carbonyl}indoline
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/C21H23BrN4O/c22-19-23-13-26(24-19)21-10-14-7-15(11-21)9-20(8-14,12-21)18(27)25-6-5-16-3-1-2-4-17(16)25/h1-4,13-15H,5-12H2/t14-,15+,20+,21-
InChIKey RGMHFOMZFDJPBL-ZFJWPNLUSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_19828
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/9151519; UBI_ID: UBI-019832
Temperature 308 °C