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Methyl 2-(4-methyl-6-phenylcyclohex-3-enyl)acetate

View entire compound with spectra: 1 FTIR

Methyl 2-(4-methyl-6-phenylcyclohex-3-enyl)acetate
SpectraBase Compound ID 6vjjH5x8dD5
InChI InChI=1S/C16H20O2/c1-12-8-9-14(11-16(17)18-2)15(10-12)13-6-4-3-5-7-13/h3-8,14-15H,9-11H2,1-2H3
InChIKey RDIMPYFECSIUJZ-UHFFFAOYSA-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 9nkrKmxcBFG
Name Methyl 2-(4-methyl-6-phenylcyclohex-3-enyl)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/c1-12-8-9-14(11-16(17)18-2)15(10-12)13-6-4-3-5-7-13/h3-8,14-15H,9-11H2,1-2H3
InChIKey RDIMPYFECSIUJZ-UHFFFAOYSA-N
Molecular Weight 244.334 g/mol
SMILES C1(=CCC(C(C1)C1=CC=CC=C1)CC(OC)=O)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.872699