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3-Methoxy-5-(1,4-dimethylpent-4-en-1-yl)cyclopent-2-en-1-one

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

3-Methoxy-5-(1,4-dimethylpent-4-en-1-yl)cyclopent-2-en-1-one
SpectraBase Compound ID Ky1XfA9Umdy
InChI InChI=1S/C13H20O2/c1-9(2)5-6-10(3)12-7-11(15-4)8-13(12)14/h8,10,12H,1,5-7H2,2-4H3
InChIKey GDZNGWMQBQDDNC-UHFFFAOYSA-N
Mol Weight 208.3 g/mol
Molecular Formula C13H20O2
Exact Mass 208.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID A3SF4mybntE
Name 3-Methoxy-5-(1,4-dimethylpent-4-en-1-yl)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 208.146329882 u
Formula C13H20O2
InChI InChI=1S/C13H20O2/c1-9(2)5-6-10(3)12-7-11(15-4)8-13(12)14/h8,10,12H,1,5-7H2,2-4H3
InChIKey GDZNGWMQBQDDNC-UHFFFAOYSA-N
Molecular Weight 208.301 g/mol
SMILES C1(C=C(OC)CC1C(CCC(=C)C)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.84299