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3-bromo-alpha-[(diheptylamino)methyl]-10-phenanthrenemethanol

View entire compound with spectra: 2 NMR, and 1 FTIR

3-bromo-alpha-[(diheptylamino)methyl]-10-phenanthrenemethanol
SpectraBase Compound ID LQezJoWZc8Z
InChI InChI=1S/C30H42BrNO.ClH/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(33)29-21-24-15-11-12-16-26(24)28-22-25(31)17-18-27(28)29;/h11-12,15-18,21-22,30,33H,3-10,13-14,19-20,23H2,1-2H3;1H
InChIKey RMHGTXQFHHYEST-UHFFFAOYSA-N
Mol Weight 549.0 g/mol
Molecular Formula C30H43BrClNO
Exact Mass 547.221656 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I4tZhQiEaJK
Name 3-BROMO-alpha-[(DIHEPTYLAMINO)METHYL]-10-PHENANTHRENEMETHANOL, HYDROCHLORIDE
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1991-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C30H42BrNO + HCl
InChI InChI=1S/C30H42BrNO.ClH/c1-3-5-7-9-13-19-32(20-14-10-8-6-4-2)23-30(33)29-21-24-15-11-12-16-26(24)28-22-25(31)17-18-27(28)29;/h11-12,15-18,21-22,30,33H,3-10,13-14,19-20,23H2,1-2H3;1H
InChIKey RMHGTXQFHHYEST-UHFFFAOYSA-N
Instrument Name BRUKER AC-300
Molecular Weight 549.05
Solvent CDCl3; Reference=TMS; Temperature 297K