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9-o-Benzyl-N-butylcaryachine

View entire compound with spectra: 1 NMR

9-o-Benzyl-N-butylcaryachine
SpectraBase Compound ID 8ikBCBeABlq
InChI InChI=1S/C29H31NO4/c1-3-4-10-30-24-12-21-14-28-29(34-18-33-28)16-23(21)25(30)11-20-13-27(26(31-2)15-22(20)24)32-17-19-8-6-5-7-9-19/h5-9,13-16,24-25H,3-4,10-12,17-18H2,1-2H3/t24-,25-/m0/s1
InChIKey YVZNGUBREZOYSZ-DQEYMECFSA-N
Mol Weight 457.57 g/mol
Molecular Formula C29H31NO4
Exact Mass 457.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID D8MhIyNCCSj
Name 9-o-Benzyl-N-butylcaryachine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 457.225308478 u
Formula C29H31NO4
InChI InChI=1S/C29H31NO4/c1-3-4-10-30-24-12-21-14-28-29(34-18-33-28)16-23(21)25(30)11-20-13-27(26(31-2)15-22(20)24)32-17-19-8-6-5-7-9-19/h5-9,13-16,24-25H,3-4,10-12,17-18H2,1-2H3/t24-,25-/m0/s1
InChIKey YVZNGUBREZOYSZ-DQEYMECFSA-N
Molecular Weight 457.570 g/mol
SMILES [C@@]12(N([C@@](CC=3C=C(C(=CC23)OC)OCC2=CC=CC=C2)(C=2C(=CC3=C(C2)OCO3)C1)[H])CCCC)[H]