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Nortoserine, N'-[2-phenethyl]-

View entire compound with spectra: 1 NMR

Nortoserine, N'-[2-phenethyl]-
SpectraBase Compound ID 9Erip9AH2iW
InChI InChI=1S/C28H31N3O2/c1-20-9-7-8-12-24(20)29-27(32)33-22-13-14-25-23(19-22)28(2)16-18-31(26(28)30(25)3)17-15-21-10-5-4-6-11-21/h4-14,19,26H,15-18H2,1-3H3,(H,29,32)
InChIKey XVAIKIDWWWIJHZ-UHFFFAOYSA-N
Mol Weight 441.58 g/mol
Molecular Formula C28H31N3O2
Exact Mass 441.241627 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KxTSbSpQxsz
Name Nortoserine, N'-[2-phenethyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 441.241627248 u
Formula C28H31N3O2
InChI InChI=1S/C28H31N3O2/c1-20-9-7-8-12-24(20)29-27(32)33-22-13-14-25-23(19-22)28(2)16-18-31(26(28)30(25)3)17-15-21-10-5-4-6-11-21/h4-14,19,26H,15-18H2,1-3H3,(H,29,32)
InChIKey XVAIKIDWWWIJHZ-UHFFFAOYSA-N
Molecular Weight 441.575 g/mol
SMILES C1=C(C=CC2=C1C1(CCN(C1N2C)CCC1=CC=CC=C1)C)OC(NC1=C(C=CC=C1)C)=O