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alpha-[(Benzylisopropylamino)methyl]-alpha-{[3,4-bis(benzyloxy)]phenyl}phenethyl alcohol

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alpha-[(Benzylisopropylamino)methyl]-alpha-{[3,4-bis(benzyloxy)]phenyl}phenethyl alcohol
SpectraBase Compound ID MdsdXsG886
InChI InChI=1S/C39H41NO3/c1-31(2)40(27-33-17-9-4-10-18-33)30-39(41,26-32-15-7-3-8-16-32)36-23-24-37(42-28-34-19-11-5-12-20-34)38(25-36)43-29-35-21-13-6-14-22-35/h3-25,31,41H,26-30H2,1-2H3
InChIKey VEZIWMPSEYYPLZ-UHFFFAOYSA-N
Mol Weight 571.8 g/mol
Molecular Formula C39H41NO3
Exact Mass 571.308644 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ID31Pkgqrjd
Name alpha-[(Benzylisopropylamino)methyl]-alpha-{[3,4-bis(benzyloxy)]phenyl}phenethyl alcohol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 571.308644181 u
Formula C39H41NO3
InChI InChI=1S/C39H41NO3/c1-31(2)40(27-33-17-9-4-10-18-33)30-39(41,26-32-15-7-3-8-16-32)36-23-24-37(42-28-34-19-11-5-12-20-34)38(25-36)43-29-35-21-13-6-14-22-35/h3-25,31,41H,26-30H2,1-2H3
InChIKey VEZIWMPSEYYPLZ-UHFFFAOYSA-N
Molecular Weight 571.761 g/mol
SMILES OC(C=1C=C(C(=CC1)OCC=1C=CC=CC1)OCC=1C=CC=CC1)(CN(CC=1C=CC=CC1)C(C)C)CC=1C=CC=CC1