For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

N-(2-Ethoxycarbonyl-1-cyclohexenyl)-L-isoleucine pyrrolidide

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

N-(2-Ethoxycarbonyl-1-cyclohexenyl)-L-isoleucine pyrrolidide
SpectraBase Compound ID AcoSLHrVCPf
InChI InChI=1S/C19H32N2O3/c1-4-14(3)17(18(22)21-12-8-9-13-21)20-16-11-7-6-10-15(16)19(23)24-5-2/h14,17,20H,4-13H2,1-3H3/t14-,17-/m0/s1
InChIKey PHQYRIFSOXYUQV-YOEHRIQHSA-N
Mol Weight 336.5 g/mol
Molecular Formula C19H32N2O3
Exact Mass 336.241293 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

Subscribe to view the full spectrum.

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6csshUjJDK7
Name N-(2-Ethoxycarbonyl-1-cyclohexenyl)-L-isoleucine pyrrolidide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 336.241292895 u
Formula C19H32N2O3
InChI InChI=1S/C19H32N2O3/c1-4-14(3)17(18(22)21-12-8-9-13-21)20-16-11-7-6-10-15(16)19(23)24-5-2/h14,17,20H,4-13H2,1-3H3/t14-,17-/m0/s1
InChIKey PHQYRIFSOXYUQV-YOEHRIQHSA-N
Molecular Weight 336.476 g/mol
SMILES C1(=C(N[C@](C(N2CCCC2)=O)([C@](CC)(C)[H])[H])CCCC1)C(=O)OCC