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(3-Oxo-2-pent-2-enylcyclopentyl)acetic acid

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

(3-Oxo-2-pent-2-enylcyclopentyl)acetic acid
SpectraBase Compound ID IsIGgmxlVUi
InChI InChI=1S/C7H10O3.C5H10/c8-6-2-1-5(3-6)4-7(9)10;1-3-5-4-2/h5H,1-4H2,(H,9,10);3,5H,4H2,1-2H3/b;5-3-
InChIKey NZHOGHOVSZKYBZ-PJAIOPLOSA-N
Mol Weight 212.29 g/mol
Molecular Formula C12H20O3
Exact Mass 212.141245 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID ApMAkgJn9sA
Name (3-oxo-2-Pent-2-enylcyclopentyl)acetic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.141244501 u
Formula C12H20O3
InChI InChI=1S/C7H10O3.C5H10/c8-6-2-1-5(3-6)4-7(9)10;1-3-5-4-2/h5H,1-4H2,(H,9,10);3,5H,4H2,1-2H3/b;5-3-
InChIKey NZHOGHOVSZKYBZ-PJAIOPLOSA-N
Molecular Weight 212.289 g/mol
Nominal Mass 212 u
SMILES C\C=C/CC.OC(CC1CCC(C1)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.904571