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Prenylamine-M (HO-) 2AC

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

Prenylamine-M (HO-) 2AC
SpectraBase Compound ID m0209DJc39
InChI InChI=1S/C28H31NO3/c1-21(20-24-10-6-4-7-11-24)29(22(2)30)19-18-28(25-12-8-5-9-13-25)26-14-16-27(17-15-26)32-23(3)31/h4-17,21,28H,18-20H2,1-3H3
InChIKey VUWGEUCMRREPQE-UHFFFAOYSA-N
Mol Weight 429.56 g/mol
Molecular Formula C28H31NO3
Exact Mass 429.230394 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1t8HfvQTYnj
Name Prenylamine-m (ho-) 2ac P1532
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.230393859 u
Formula C28H31NO3
InChI InChI=1S/C28H31NO3/c1-21(20-24-10-6-4-7-11-24)29(22(2)30)19-18-28(25-12-8-5-9-13-25)26-14-16-27(17-15-26)32-23(3)31/h4-17,21,28H,18-20H2,1-3H3
InChIKey VUWGEUCMRREPQE-UHFFFAOYSA-N
Molecular Weight 429.560 g/mol
SMILES C=1C=CC=C(C1)C(C1=CC=C(C=C1)OC(C)=O)CCN(C(CC1=CC=CC=C1)C)C(C)=O