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(S,S,S)-Tert-butyl 3-[N-(2-methoxymethyl)pyrrolidin-1-yl]amino-2-benzylpentanoate

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

(S,S,S)-Tert-butyl 3-[N-(2-methoxymethyl)pyrrolidin-1-yl]amino-2-benzylpentanoate
SpectraBase Compound ID 12ZFUJ9F0A7
InChI InChI=1S/C22H36N2O3/c1-6-20(23-24-14-10-13-18(24)16-26-5)19(21(25)27-22(2,3)4)15-17-11-8-7-9-12-17/h7-9,11-12,18-20,23H,6,10,13-16H2,1-5H3/t18-,19-,20-/m0/s1
InChIKey FTBSANAZFNDAAL-UFYCRDLUSA-N
Mol Weight 376.5 g/mol
Molecular Formula C22H36N2O3
Exact Mass 376.272593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6mxZDZpRbMo
Name (S,S,S)-Tert-butyl 3-[N-(2-methoxymethyl)pyrrolidin-1-yl]amino-2-benzylpentanoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 376.272593024 u
Formula C22H36N2O3
InChI InChI=1S/C22H36N2O3/c1-6-20(23-24-14-10-13-18(24)16-26-5)19(21(25)27-22(2,3)4)15-17-11-8-7-9-12-17/h7-9,11-12,18-20,23H,6,10,13-16H2,1-5H3/t18-,19-,20-/m0/s1
InChIKey FTBSANAZFNDAAL-UFYCRDLUSA-N
Molecular Weight 376.541 g/mol
SMILES [C@](C(OC(C)(C)C)=O)([C@@](NN1[C@](COC)(CCC1)[H])(CC)[H])(CC1=CC=CC=C1)[H]