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Methyl (1'R,1S,2R)-5-[spiro-(2,5-dioxa)cyclopentyl]-2-[1'-(phenylethyl)amino]cyclohexanepropionate

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

Methyl (1'R,1S,2R)-5-[spiro-(2,5-dioxa)cyclopentyl]-2-[1'-(phenylethyl)amino]cyclohexanepropionate
SpectraBase Compound ID GnoFXFoB9Vy
InChI InChI=1S/C20H29NO4/c1-15(16-6-4-3-5-7-16)21-18-10-11-20(24-12-13-25-20)14-17(18)8-9-19(22)23-2/h3-7,15,17-18,21H,8-14H2,1-2H3/t15-,17+,18-/m1/s1
InChIKey NEQGZOPYNSYKNT-BPQIPLTHSA-N
Mol Weight 347.46 g/mol
Molecular Formula C20H29NO4
Exact Mass 347.209658 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EvJjSRKxQ95
Name Methyl (1'R,1S,2R)-5-[spiro-(2,5-dioxa)cyclopentyl]-2-[1'-(phenylethyl)amino]cyclohexanepropionate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 347.209658414 u
Formula C20H29NO4
InChI InChI=1S/C20H29NO4/c1-15(16-6-4-3-5-7-16)21-18-10-11-20(24-12-13-25-20)14-17(18)8-9-19(22)23-2/h3-7,15,17-18,21H,8-14H2,1-2H3/t15-,17+,18-/m1/s1
InChIKey NEQGZOPYNSYKNT-BPQIPLTHSA-N
Molecular Weight 347.455 g/mol
SMILES C12(C[C@@](CCC(=O)OC)([H])[C@](N[C@@](C=3C=CC=CC3)(C)[H])(CC1)[H])OCCO2