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6-[1'-(S)-N,N-dibenzylamino-2'-phenylethyl]-5-methoxycarbonyl-4-methyl-5,6-dihydro-2H-pyran-2-one

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6-[1'-(S)-N,N-dibenzylamino-2'-phenylethyl]-5-methoxycarbonyl-4-methyl-5,6-dihydro-2H-pyran-2-one
SpectraBase Compound ID DulpUa27QWT
InChI InChI=1S/C30H31NO4/c1-22-18-27(32)35-29(28(22)30(33)34-2)26(19-23-12-6-3-7-13-23)31(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-18,26,28-29H,19-21H2,1-2H3/t26-,28?,29?/m0/s1
InChIKey FCQCRJMSWMNNGQ-AJEDYCGISA-N
Mol Weight 469.58 g/mol
Molecular Formula C30H31NO4
Exact Mass 469.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4F2viav8ibs
Name 6-[1'-(S)-N,N-Dibenzylamino-2'-phenylethyl]-5-methoxycarbonyl-4-methyl-5,6-dihydro-2H-pyran-2-one
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 469.225308478 u
Formula C30H31NO4
InChI InChI=1S/C30H31NO4/c1-22-18-27(32)35-29(28(22)30(33)34-2)26(19-23-12-6-3-7-13-23)31(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-18,26,28-29H,19-21H2,1-2H3/t26-,28?,29?/m0/s1
InChIKey FCQCRJMSWMNNGQ-AJEDYCGISA-N
Molecular Weight 469.581 g/mol
SMILES C1(C([C@@](N(CC=2C=CC=CC2)CC=2C=CC=CC2)(CC2=CC=CC=C2)[H])OC(C=C1C)=O)C(=O)OC