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Hexyl-4-propylbenzoate
SpectraBase Compound ID 6TOVCoapIJd
InChI InChI=1S/C16H24O2/c1-3-5-6-7-13-18-16(17)15-11-9-14(8-4-2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChIKey RFYMBNITBKVEOO-UHFFFAOYSA-N
Mol Weight 248.37 g/mol
Molecular Formula C16H24O2
Exact Mass 248.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Dla0NMQYHLM
Name Hexyl 4-propyl benzoate
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 248.177630011 u
Formula C16H24O2
InChI InChI=1S/C16H24O2/c1-3-5-6-7-13-18-16(17)15-11-9-14(8-4-2)10-12-15/h9-12H,3-8,13H2,1-2H3
InChIKey RFYMBNITBKVEOO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 248.366 g/mol
Nominal Mass 248 u
Quality 782
Retention Index 1929
SMILES C=1(C(OCCCCCC)=O)C=CC(=CC1)CCC
SPLASH splash10-02td-4900000000-2ce07a082e712269eec9
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoic acid,4-propyl-,hexyl ester Hexyl-4-propylbenzoate
Technique GC/MS
Wiley ID DD2024_022657