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Cyclohexanecarboxylic acid, 3-phenylprop-2-enyl ester

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Cyclohexanecarboxylic acid, 3-phenylprop-2-enyl ester
SpectraBase Compound ID I5EDFhz3INO
InChI InChI=1S/C16H20O2/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,15H,2,5-6,11-13H2/b10-7+
InChIKey XLPDLIIZOULLSY-JXMROGBWSA-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 EZnl3k5b1YG
Name Cyclohexanecarboxylic acid, 3-phenylprop-2-enyl ester
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/c17-16(15-11-5-2-6-12-15)18-13-7-10-14-8-3-1-4-9-14/h1,3-4,7-10,15H,2,5-6,11-13H2/b10-7+
InChIKey XLPDLIIZOULLSY-JXMROGBWSA-N
Molecular Weight 244.334 g/mol
SMILES C1=CC=CC=C1\C=C\COC(=O)C1CCCCC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.806189