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Cyclohexyl-4-propylbenzoate

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

Cyclohexyl-4-propylbenzoate
SpectraBase Compound ID GKDQmmlgsm9
InChI InChI=1S/C16H22O2/c1-2-6-13-9-11-14(12-10-13)16(17)18-15-7-4-3-5-8-15/h9-12,15H,2-8H2,1H3
InChIKey DKCNFLCZNAYMBD-UHFFFAOYSA-N
Mol Weight 246.35 g/mol
Molecular Formula C16H22O2
Exact Mass 246.16198 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 29Ih1Heud8Z
Name Cyclohexyl 4-propyl benzoate
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 246.161979946 u
Formula C16H22O2
InChI InChI=1S/C16H22O2/c1-2-6-13-9-11-14(12-10-13)16(17)18-15-7-4-3-5-8-15/h9-12,15H,2-8H2,1H3
InChIKey DKCNFLCZNAYMBD-UHFFFAOYSA-N
Molecular Weight 246.350 g/mol
SMILES C=1(C(OC2CCCCC2)=O)C=CC(=CC1)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.820297