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Phenyl acetic acid ethyl ester
SpectraBase Compound ID 1nwGGAwO20w
InChI InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey DULCUDSUACXJJC-UHFFFAOYSA-N
Mol Weight 164.2 g/mol
Molecular Formula C10H12O2
Exact Mass 164.08373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8FV4JGLvhOy
Name Benzene acetic acid ethyl ester
CAS Registry Number 101-97-3
Classification Fragrance, flavor
Comments Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 164.083729624 u
Formula C10H12O2
InChI InChI=1S/C10H12O2/c1-2-12-10(11)8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey DULCUDSUACXJJC-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.204 g/mol
Nominal Mass 164 u
Quality 997
Retention Index 1220
SMILES C1(CC(OCC)=O)=CC=CC=C1
SPLASH splash10-0006-9100000000-598607dabea8f4b00719
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Ethyl benzeneacetate Phenylacetic acid ethyl ester Ethyl 2-phenyl acetate
Technique GC/MS
Wiley ID DD2024_014803