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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pOA1e5z1Dk
Name Cyclohexyl 4-propyl benzoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. 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
Ionization Type Electron Ionization (EI)
Molecular Weight 246.350 g/mol
Nominal Mass 246 u
Quality 985
Retention Index 1929
SMILES C=1(C(OC2CCCCC2)=O)C=CC(=CC1)CCC
SPLASH splash10-014j-4900000000-710b331f5ed17f2d3e58
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-propyl-,cyclohexyl ester Cyclohexyl-4-propylbenzoate
Technique GC/MS
Wiley ID DD2024_022658