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(1S,2R,.alpha.R)-2-[N-(.alpha.-Methylbenzyl)amino]-1-(carbobenzoxy)cyclopentane

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

(1S,2R,.alpha.R)-2-[N-(.alpha.-Methylbenzyl)amino]-1-(carbobenzoxy)cyclopentane
SpectraBase Compound ID 9yFbDEMZI80
InChI InChI=1S/C21H25NO2/c1-16(18-11-6-3-7-12-18)22-20-14-8-13-19(20)21(23)24-15-17-9-4-2-5-10-17/h2-7,9-12,16,19-20,22H,8,13-15H2,1H3/t16-,19+,20-/m1/s1
InChIKey NACDUSBHYWRDJS-LSTHTHJFSA-N
Mol Weight 323.44 g/mol
Molecular Formula C21H25NO2
Exact Mass 323.188529 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GcUcfDndnyf
Name (1S,2R,.alpha.R)-2-[N-(.alpha.-Methylbenzyl)amino]-1-(carbobenzoxy)cyclopentane
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.188529047 u
Formula C21H25NO2
InChI InChI=1S/C21H25NO2/c1-16(18-11-6-3-7-12-18)22-20-14-8-13-19(20)21(23)24-15-17-9-4-2-5-10-17/h2-7,9-12,16,19-20,22H,8,13-15H2,1H3/t16-,19+,20-/m1/s1
InChIKey NACDUSBHYWRDJS-LSTHTHJFSA-N
Molecular Weight 323.436 g/mol
SMILES [C@]1(C(OCC=2C=CC=CC2)=O)([C@](N[C@@](C2=CC=CC=C2)(C)[H])(CCC1)[H])[H]