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Ethyl 4-Pentanoylbenzoate
SpectraBase Compound ID AcDlUJtpKPe
InChI InChI=1S/C14H18O3/c1-3-5-6-13(15)11-7-9-12(10-8-11)14(16)17-4-2/h7-10H,3-6H2,1-2H3
InChIKey WZFDVGARCVRFKV-UHFFFAOYSA-N
Mol Weight 234.29 g/mol
Molecular Formula C14H18O3
Exact Mass 234.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3aTRE28FgVR
Name Ethyl 4-Pentanoylbenzoate
Alternate Name(s) 4-(1-oxopentyl)benzoic acid ethyl ester 4-Valerylbenzoic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18O3
InChI InChI=1S/C14H18O3/c1-3-5-6-13(15)11-7-9-12(10-8-11)14(16)17-4-2/h7-10H,3-6H2,1-2H3
InChIKey WZFDVGARCVRFKV-UHFFFAOYSA-N
Molecular Weight 234.295 g/mol
SMILES C(c1ccc(cc1)C(CCCC)=O)(=O)OCC
SPLASH splash10-002b-0900000000-df959ff2f95293d24684
Source of Spectrum F-69-942-0
Wiley ID 1594626