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Butyl 4-propylbenzoate
SpectraBase Compound ID 2oHRw2g4Lvf
InChI InChI=1S/C14H20O2/c1-3-5-11-16-14(15)13-9-7-12(6-4-2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChIKey KSNCRXKXKCRVEO-UHFFFAOYSA-N
Mol Weight 220.31 g/mol
Molecular Formula C14H20O2
Exact Mass 220.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GWGXhL7wClk
Name Butyl 4-propylbenzoate
Classification Chemical
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 220.146329882 u
Formula C14H20O2
InChI InChI=1S/C14H20O2/c1-3-5-11-16-14(15)13-9-7-12(6-4-2)8-10-13/h7-10H,3-6,11H2,1-2H3
InChIKey KSNCRXKXKCRVEO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 220.312 g/mol
Nominal Mass 220 u
Quality 991
Retention Index 1700
SMILES C=1(C(OCCCC)=O)C=CC(=CC1)CCC
SPLASH splash10-03xs-2900000000-1ced8a5fbcec8cd6cc67
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-propyl-,butyl ester 4-Propylbenzoic acid butylester Butyl-4-propylbenzoate
Technique GC/MS
Wiley ID DD2024_024502