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N-T-Butoxycarbonyl-aminoacetic acid amide, N-[2-[1-pyrrolidyl]cyclohexyl]-, cis-

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N-T-Butoxycarbonyl-aminoacetic acid amide, N-[2-[1-pyrrolidyl]cyclohexyl]-, cis-
SpectraBase Compound ID BQXwZNzTsiM
InChI InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)18-12-15(21)19-13-8-4-5-9-14(13)20-10-6-7-11-20/h13-14H,4-12H2,1-3H3,(H,18,22)(H,19,21)/t13-,14+/m0/s1
InChIKey ZMZHDFSKIOYWTG-UONOGXRCSA-N
Mol Weight 325.45 g/mol
Molecular Formula C17H31N3O3
Exact Mass 325.236542 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Ejbh6ralTYM
Name N-T-Butoxycarbonyl-aminoacetic acid amide, N-[2-[1-pyrrolidyl]cyclohexyl]-, cis-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 325.236541867 u
Formula C17H31N3O3
InChI InChI=1S/C17H31N3O3/c1-17(2,3)23-16(22)18-12-15(21)19-13-8-4-5-9-14(13)20-10-6-7-11-20/h13-14H,4-12H2,1-3H3,(H,18,22)(H,19,21)/t13-,14+/m0/s1
InChIKey ZMZHDFSKIOYWTG-UONOGXRCSA-N
Molecular Weight 325.453 g/mol
SMILES C1CC[C@]([C@](C1)(NC(=O)CNC(OC(C)(C)C)=O)[H])(N1CCCC1)[H]