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Azacycloheptane-3-amino-1-ethanol, N-[3-phenylpropyl]-, diphenylmethyl(
SpectraBase Compound ID HVcrtYzHe2q
InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-21-31-29-20-10-11-22-32(25-29)23-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
InChIKey ZYUGAHBWNOIKHF-UHFFFAOYSA-N
Mol Weight 442.6 g/mol
Molecular Formula C30H38N2O
Exact Mass 442.298414 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33ZODUCRhMZ
Name Azacycloheptane-3-amino-1-ethanol, N-[3-phenylpropyl]-, diphenylmethyl(
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 442.298413851 u
Formula C30H38N2O
InChI InChI=1S/C30H38N2O/c1-4-13-26(14-5-1)15-12-21-31-29-20-10-11-22-32(25-29)23-24-33-30(27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-9,13-14,16-19,29-31H,10-12,15,20-25H2
InChIKey ZYUGAHBWNOIKHF-UHFFFAOYSA-N
Molecular Weight 442.647 g/mol
SMILES C1CCC(CN(C1)CCOC(C1=CC=CC=C1)C1=CC=CC=C1)NCCCC1=CC=CC=C1