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7-Cyclopenta-2,4-dienyl-heptanoic acid, ethyl ester

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

7-Cyclopenta-2,4-dienyl-heptanoic acid, ethyl ester
SpectraBase Compound ID AsSB2klKiwA
InChI InChI=1S/C14H22O2/c1-2-16-14(15)12-6-4-3-5-9-13-10-7-8-11-13/h7-8,10-11,13H,2-6,9,12H2,1H3
InChIKey WILTXRXNFRVELT-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C14H22O2
Exact Mass 222.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Zv3yZgQ56A
Name 7-Cyclopenta-2,4-dienyl-heptanoic acid, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.161979946 u
Formula C14H22O2
InChI InChI=1S/C14H22O2/c1-2-16-14(15)12-6-4-3-5-9-13-10-7-8-11-13/h7-8,10-11,13H,2-6,9,12H2,1H3
InChIKey WILTXRXNFRVELT-UHFFFAOYSA-N
Molecular Weight 222.328 g/mol
SMILES C(CCCCC(OCC)=O)CC1C=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.969967