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Ethyl 3-[(1,1-dimethylethoxy)carbonyl]-.beta.-ethylidene-2-piperidinepropanoate

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

Ethyl 3-[(1,1-dimethylethoxy)carbonyl]-.beta.-ethylidene-2-piperidinepropanoate
SpectraBase Compound ID 3eRGwGIFnYH
InChI InChI=1S/C17H29NO4/c1-6-12(11-14(19)21-7-2)15-13(9-8-10-18-15)16(20)22-17(3,4)5/h6,13,15,18H,7-11H2,1-5H3/b12-6+
InChIKey JLIFRLPNBBRMIX-WUXMJOGZSA-N
Mol Weight 311.42 g/mol
Molecular Formula C17H29NO4
Exact Mass 311.209658 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8rgYYLptt4e
Name Ethyl 3-[(1,1-dimethylethoxy)carbonyl]-.beta.-ethylidene-2-piperidinepropanoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.209658414 u
Formula C17H29NO4
InChI InChI=1S/C17H29NO4/c1-6-12(11-14(19)21-7-2)15-13(9-8-10-18-15)16(20)22-17(3,4)5/h6,13,15,18H,7-11H2,1-5H3/b12-6+
InChIKey JLIFRLPNBBRMIX-WUXMJOGZSA-N
SMILES C1(NCCCC1C(=O)OC(C)(C)C)\C(CC(=O)OCC)=C\C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.925295