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(2S)-2-[4-methylpent-3-enyl-(phenylmethyl)amino]-3-phenyl-propanal

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

(2S)-2-[4-methylpent-3-enyl-(phenylmethyl)amino]-3-phenyl-propanal
SpectraBase Compound ID KyMcxAw0spH
InChI InChI=1S/C22H27NO/c1-19(2)10-9-15-23(17-21-13-7-4-8-14-21)22(18-24)16-20-11-5-3-6-12-20/h3-8,10-14,18,22H,9,15-17H2,1-2H3/t22-/m0/s1
InChIKey MHZPKRWTHZXROP-QFIPXVFZSA-N
Mol Weight 321.46 g/mol
Molecular Formula C22H27NO
Exact Mass 321.209264 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BwGa22nxDCt
Name (2S)-2-[4-Methylpent-3-enyl-(phenylmethyl)amino]-3-phenyl-propanal
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 321.209264492 u
Formula C22H27NO
InChI InChI=1S/C22H27NO/c1-19(2)10-9-15-23(17-21-13-7-4-8-14-21)22(18-24)16-20-11-5-3-6-12-20/h3-8,10-14,18,22H,9,15-17H2,1-2H3/t22-/m0/s1
InChIKey MHZPKRWTHZXROP-QFIPXVFZSA-N
Molecular Weight 321.464 g/mol
SMILES [C@@](N(CC=1C=CC=CC1)CCC=C(C)C)(CC1=CC=CC=C1)(C=O)[H]