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Benzoicacid,ethylester
SpectraBase Compound ID 5JAsqyhaEpm
InChI InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Mol Weight 150.18 g/mol
Molecular Formula C9H10O2
Exact Mass 150.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5VUpXWi80Rs
Name Benzoicacidethyl ester
CAS Registry Number 93-89-0
Classification Flavor
Comments Spectrum verified by crosschecking against external libraries (three 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 150.068079560 u
Formula C9H10O2
InChI InChI=1S/C9H10O2/c1-2-11-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKey MTZQAGJQAFMTAQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 150.177 g/mol
Nominal Mass 150 u
Quality 989
Retention Index 1163
SMILES C1(C(OCC)=O)=CC=CC=C1
SPLASH splash10-0a6r-5900000000-1a6d6a1bf807d65517a1
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoicacid,ethylester Ethyl benzoate
Technique GC/MS
Wiley ID DD2024_007727