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(5Z)-4-ethoxy-2-propyl-5-(1-pyrrolidin-1-ylbutylidene)cyclopent-2-en-1-one

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

(5Z)-4-ethoxy-2-propyl-5-(1-pyrrolidin-1-ylbutylidene)cyclopent-2-en-1-one
SpectraBase Compound ID 3jFnXkOJS1H
InChI InChI=1S/C18H29NO2/c1-4-9-14-13-16(21-6-3)17(18(14)20)15(10-5-2)19-11-7-8-12-19/h13,16H,4-12H2,1-3H3/b17-15-
InChIKey CJRCDARBJGTPDA-ICFOKQHNSA-N
Mol Weight 291.44 g/mol
Molecular Formula C18H29NO2
Exact Mass 291.219829 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FEdmS990uyV
Name (5Z)-4-Ethoxy-2-propyl-5-(1-pyrrolidin-1-ylbutylidene)cyclopent-2-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 291.219829176 u
Formula C18H29NO2
InChI InChI=1S/C18H29NO2/c1-4-9-14-13-16(21-6-3)17(18(14)20)15(10-5-2)19-11-7-8-12-19/h13,16H,4-12H2,1-3H3/b17-15-
InChIKey CJRCDARBJGTPDA-ICFOKQHNSA-N
SMILES C1(\C(C(C=C1CCC)OCC)=C\(N1CCCC1)CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.862287