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3-Methyl-2-butenoic acid, 2-ethylcyclohexyl ester

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3-Methyl-2-butenoic acid, 2-ethylcyclohexyl ester
SpectraBase Compound ID 5b6Sddk0O4O
InChI InChI=1S/C13H22O2/c1-4-11-7-5-6-8-12(11)15-13(14)9-10(2)3/h9,11-12H,4-8H2,1-3H3
InChIKey DIOKYYBMEGXSDF-UHFFFAOYSA-N
Mol Weight 210.32 g/mol
Molecular Formula C13H22O2
Exact Mass 210.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LGCuaKgYnZw
Name 3-Methyl-2-butenoic acid, 2-ethylcyclohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 210.161979946 u
Formula C13H22O2
InChI InChI=1S/C13H22O2/c1-4-11-7-5-6-8-12(11)15-13(14)9-10(2)3/h9,11-12H,4-8H2,1-3H3
InChIKey DIOKYYBMEGXSDF-UHFFFAOYSA-N
Molecular Weight 210.317 g/mol
SMILES CCC1CCCCC1OC(=O)C=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.828562