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(2S)-1-Benzyloxycarbonyl-2-(12'-ethylidenedioxy-1'-dodecenyl)pyrrolidine

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(2S)-1-Benzyloxycarbonyl-2-(12'-ethylidenedioxy-1'-dodecenyl)pyrrolidine
SpectraBase Compound ID Aih9NrhrfhY
InChI InChI=1S/C26H39NO4/c28-26(31-22-23-14-9-8-10-15-23)27-19-13-17-24(27)16-11-6-4-2-1-3-5-7-12-18-25-29-20-21-30-25/h8-11,14-16,24-25H,1-7,12-13,17-22H2/b16-11+/t24-/m1/s1
InChIKey GXAFWZNLAARXIR-JOPVOSQUSA-N
Mol Weight 429.6 g/mol
Molecular Formula C26H39NO4
Exact Mass 429.287909 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2Zt5COfhv9k
Name (2S)-1-Benzyloxycarbonyl-2-(12'-ethylidenedioxy-1'-dodecenyl)pyrrolidine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 429.287908736 u
Formula C26H39NO4
InChI InChI=1S/C26H39NO4/c28-26(31-22-23-14-9-8-10-15-23)27-19-13-17-24(27)16-11-6-4-2-1-3-5-7-12-18-25-29-20-21-30-25/h8-11,14-16,24-25H,1-7,12-13,17-22H2/b16-11+/t24-/m1/s1
InChIKey GXAFWZNLAARXIR-JOPVOSQUSA-N
Molecular Weight 429.601 g/mol
SMILES C(N1[C@](\C=C\CCCCCCCCCC2OCCO2)(CCC1)[H])(OCC1=CC=CC=C1)=O