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Ethyl (E)-4-(1,2,2-trimethylcyclopent-4-enoate

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

Ethyl (E)-4-(1,2,2-trimethylcyclopent-4-enoate
SpectraBase Compound ID DNWOPc8Aumc
InChI InChI=1S/C15H26O2/c1-6-17-13(16)9-8-12(2)15(5)11-7-10-14(15,3)4/h2,6-11H2,1,3-5H3/t15-/m0/s1
InChIKey AAKHXWHPBATNAW-HNNXBMFYSA-N
Mol Weight 238.37 g/mol
Molecular Formula C15H26O2
Exact Mass 238.19328 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Ga27Aj7tVDp
Name Ethyl (E)-4-(1,2,2-trimethylcyclopent-4-enoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 238.193280075 u
Formula C15H26O2
InChI InChI=1S/C15H26O2/c1-6-17-13(16)9-8-12(2)15(5)11-7-10-14(15,3)4/h2,6-11H2,1,3-5H3/t15-/m0/s1
InChIKey AAKHXWHPBATNAW-HNNXBMFYSA-N
Molecular Weight 238.371 g/mol
SMILES [C@@]1(C(CCC(=O)OCC)=C)(C(CCC1)(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.958092