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Propyl benzoate
SpectraBase Compound ID JtxtziUz1ro
InChI InChI=1S/C10H12O2/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey UDEWPOVQBGFNGE-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 xRCoBZTP8
Name Benzoic acid propyl ester
CAS Registry Number 2315-68-6
Classification Food additive, flavoring agent
Comments Spectrum verified by crosschecking against external libraries (two 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/c1-2-8-12-10(11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey UDEWPOVQBGFNGE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.204 g/mol
Nominal Mass 164 u
Quality 921
Retention Index 1304
SMILES C=1(C(OCCC)=O)C=CC=CC1
SPLASH splash10-0ab9-6900000000-1941bf4070c7fb1fbd7d
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzoicacid,propylester Propyl benzenecarboxylate n-Propyl benzoate Propyl benzoate
Technique GC/MS
Wiley ID DD2024_009765