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2-{4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxyphenoxy}ethanol
SpectraBase Compound ID IXRbobxWygk
InChI InChI=1S/C21H30BrNO3/c1-2-25-19-8-17(18(22)9-20(19)26-4-3-24)13-23-21-10-14-5-15(11-21)7-16(6-14)12-21/h8-9,14-16,23-24H,2-7,10-13H2,1H3/t14-,15+,16-,21-
InChIKey IQMISMLYDKQPKX-OFIQSVQDSA-N
Mol Weight 424.38 g/mol
Molecular Formula C21H30BrNO3
Exact Mass 423.140907 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2xe4e7czO7x
Name 2-{4-[(1-adamantylamino)methyl]-5-bromo-2-ethoxyphenoxy}ethanol
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/C21H30BrNO3/c1-2-25-19-8-17(18(22)9-20(19)26-4-3-24)13-23-21-10-14-5-15(11-21)7-16(6-14)12-21/h8-9,14-16,23-24H,2-7,10-13H2,1H3/t14-,15+,16-,21-
InChIKey IQMISMLYDKQPKX-OFIQSVQDSA-N
NMR Offset 17.9118
NMR Spectrometer Frequency 500.077
Observed nucleus 1H
Origin 1H_SBI_36227_33481
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: 1928564; SBI_ID: SBI-033485
Temperature 303 °C