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8-[2-(Butylamino)ethyl]-3,5-dimethoxy-phenanthrene-2,6-diol

View entire compound with spectra: 1 NMR, and 1 MS (GC)

8-[2-(Butylamino)ethyl]-3,5-dimethoxy-phenanthrene-2,6-diol
SpectraBase Compound ID 2YBB1wa7edu
InChI InChI=1S/C22H27NO4/c1-4-5-9-23-10-8-15-12-19(25)22(27-3)21-16(15)7-6-14-11-18(24)20(26-2)13-17(14)21/h6-7,11-13,23-25H,4-5,8-10H2,1-3H3
InChIKey KRGSTQDEZQNXOF-UHFFFAOYSA-N
Mol Weight 369.46 g/mol
Molecular Formula C22H27NO4
Exact Mass 369.194008 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HgicdsCRLfn
Name 8-[2-(Butylamino)ethyl]-3,5-dimethoxy-phenanthrene-2,6-diol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 369.194008349 u
Formula C22H27NO4
InChI InChI=1S/C22H27NO4/c1-4-5-9-23-10-8-15-12-19(25)22(27-3)21-16(15)7-6-14-11-18(24)20(26-2)13-17(14)21/h6-7,11-13,23-25H,4-5,8-10H2,1-3H3
InChIKey KRGSTQDEZQNXOF-UHFFFAOYSA-N
Molecular Weight 369.461 g/mol
SMILES C1=2C3=CC(OC)=C(C=C3C=CC1=C(CCNCCCC)C=C(C2OC)O)O