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Ethyl 4-ethylbenzoate
SpectraBase Compound ID BYSGtKXClpa
InChI InChI=1S/C11H14O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h5-8H,3-4H2,1-2H3
InChIKey ZPUKPAPWEWUPTC-UHFFFAOYSA-N
Mol Weight 178.23 g/mol
Molecular Formula C11H14O2
Exact Mass 178.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DnSb9zeL8rI
Name Ethyl 4-ethylbenzoate
CAS Registry Number 36207-13-3
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 178.099379689 u
Formula C11H14O2
InChI InChI=1S/C11H14O2/c1-3-9-5-7-10(8-6-9)11(12)13-4-2/h5-8H,3-4H2,1-2H3
InChIKey ZPUKPAPWEWUPTC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 178.231 g/mol
Nominal Mass 178 u
Quality 993
Retention Index 1365
SMILES C=1(C(OCC)=O)C=CC(=CC1)CC
SPLASH splash10-001i-2900000000-9a6be5843b16b6e0a387
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Ethylbenzoic acid ethyl ester
Technique GC/MS
Wiley ID DD2024_022414