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E-Ethyl (4-phenylcyclohexylidene)acetate

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

E-Ethyl (4-phenylcyclohexylidene)acetate
SpectraBase Compound ID 3x8kYWSSvg3
InChI InChI=1S/C16H20O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11H2,1H3/b13-12-
InChIKey PESXGYQEFGRNJR-SEYXRHQNSA-N
Mol Weight 244.33 g/mol
Molecular Formula C16H20O2
Exact Mass 244.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID a4eZt3Zk4K
Name E-Ethyl (4-phenylcyclohexylidene)acetate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.146329882 u
Formula C16H20O2
InChI InChI=1S/C16H20O2/c1-2-18-16(17)12-13-8-10-15(11-9-13)14-6-4-3-5-7-14/h3-7,12,15H,2,8-11H2,1H3/b13-12-
InChIKey PESXGYQEFGRNJR-SEYXRHQNSA-N
Molecular Weight 244.334 g/mol
SMILES C(C(=O)OCC)=C1CCC(CC1)C1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.876975