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Ethyl 3-phenylpropionate
SpectraBase Compound ID 6fceBmZjCgl
InChI InChI=1S/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey JAGZUIGGHGTFHO-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 2nsMxrGk70q
Name 3-Phenylethyl propanoate
CAS Registry Number 2021-28-5
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/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H3
InChIKey JAGZUIGGHGTFHO-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 178.231 g/mol
Nominal Mass 178 u
Quality 978
Retention Index 1320
SMILES C1(CCC(OCC)=O)=CC=CC=C1
SPLASH splash10-0zi0-7900000000-3dfd9a7191fef38ee842
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzenepropanoic acid,ethyl ester Ethyl 3-phenyl propanoate
Technique GC/MS
Wiley ID DD2024_029596