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

*Links on SpectraBase are not permalinks.

6-Bromo-.alpha.-[di-N-heptylaminomethyl]-9-phenanthrenemethanol

View entire compound with spectra: 1 NMR

6-Bromo-.alpha.-[di-N-heptylaminomethyl]-9-phenanthrenemethanol
SpectraBase Compound ID ACQFpJ3ZUXN
InChI InChI=1S/C30H42BrNO/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
InChIKey BWNCHMAKZSGSMP-UHFFFAOYSA-N
Mol Weight 512.6 g/mol
Molecular Formula C30H42BrNO
Exact Mass 511.244978 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID Ff9TPAk2rRD
Name 6-Bromo-.alpha.-[di-N-heptylaminomethyl]-9-phenanthrenemethanol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 511.244977975 u
Formula C30H42BrNO
InChI InChI=1S/C30H42BrNO/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
InChIKey BWNCHMAKZSGSMP-UHFFFAOYSA-N
Molecular Weight 512.576 g/mol
SMILES C1=CC(=CC2=C1C(=CC1=C2C=CC=C1)C(CN(CCCCCCC)CCCCCCC)O)Br