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Benzyl propionate
SpectraBase Compound ID Fau76E06XoE
InChI InChI=1S/C10H12O2/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey VHOMAPWVLKRQAZ-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 Dthdc10DKUL
Name Propanoic acid phenylmethyl ester
CAS Registry Number 122-63-4
Classification Pharmaceutical drug intermediate
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/c1-2-10(11)12-8-9-6-4-3-5-7-9/h3-7H,2,8H2,1H3
InChIKey VHOMAPWVLKRQAZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 164.204 g/mol
Nominal Mass 164 u
Quality 998
Retention Index 1203
SMILES C=1(COC(CC)=O)C=CC=CC1
SPLASH splash10-052f-9400000000-22d94294a137b521e3c3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Benzyl propionate benzyl propanoate
Technique GC/MS
Wiley ID DD2024_018529