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1-(4,4-Dimethylcyclopent-1-en-1-yl)pent-4-en-1-one

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

1-(4,4-Dimethylcyclopent-1-en-1-yl)pent-4-en-1-one
SpectraBase Compound ID EclntSLRHy1
InChI InChI=1S/C12H18O/c1-4-5-6-11(13)10-7-8-12(2,3)9-10/h4,7H,1,5-6,8-9H2,2-3H3
InChIKey PMLLRBWPCPAOOF-UHFFFAOYSA-N
Mol Weight 178.27 g/mol
Molecular Formula C12H18O
Exact Mass 178.135765 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 7gI36QDeUlg
Name 1-(4,4-Dimethylcyclopent-1-en-1-yl)pent-4-en-1-one
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 178.135765199 u
Formula C12H18O
InChI InChI=1S/C12H18O/c1-4-5-6-11(13)10-7-8-12(2,3)9-10/h4,7H,1,5-6,8-9H2,2-3H3
InChIKey PMLLRBWPCPAOOF-UHFFFAOYSA-N
Molecular Weight 178.275 g/mol
SMILES CC1(C)CC=C(C(CCC=C)=O)C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.81974