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Cyclohexyl 4-butylbenzoate
SpectraBase Compound ID 5eTczgrYvNa
InChI InChI=1S/C17H24O2/c1-2-3-7-14-10-12-15(13-11-14)17(18)19-16-8-5-4-6-9-16/h10-13,16H,2-9H2,1H3
InChIKey PRNYFJRUXXUDBT-UHFFFAOYSA-N
Mol Weight 260.38 g/mol
Molecular Formula C17H24O2
Exact Mass 260.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlR5anXlj5U
Name Cyclohexyl 4-butylbenzoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 260.177630011 u
Formula C17H24O2
InChI InChI=1S/C17H24O2/c1-2-3-7-14-10-12-15(13-11-14)17(18)19-16-8-5-4-6-9-16/h10-13,16H,2-9H2,1H3
InChIKey PRNYFJRUXXUDBT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 260.377 g/mol
Nominal Mass 260 u
Quality 985
Retention Index 2041
SMILES C1(C(OC2CCCCC2)=O)=CC=C(C=C1)CCCC
SPLASH splash10-01t9-4900000000-2295d3b361b70ef79c93
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-butyl-,cyclohexyl ester
Technique GC/MS
Wiley ID DD2024_022412