John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=1DacV2v3LFv SpectraBase Spectrum ID=10WPphWNedu

(accessed ).
Phenyl acetate
SpectraBase Compound ID 1DacV2v3LFv
InChI InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKey IPBVNPXQWQGGJP-UHFFFAOYSA-N
Mol Weight 136.15 g/mol
Molecular Formula C8H8O2
Exact Mass 136.05243 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 10WPphWNedu
Name Phenyl acetate
Acquisition Mode SIMULTANEOUS
CAS Registry Number 122-79-2
ChEBI ID 8082
Comments Saturated Phenyl Acetate - Sigma-Aldrich Solvent CDCl3, temperature 298 K
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Data Source Madison Metabolomics Consortium
Formula C8 H8 O2
IUPAC Name phenyl acetate; acetic acid phenyl ester; phenyl ethanoate
InChI InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3
InChIKey IPBVNPXQWQGGJP-UHFFFAOYSA-N
KEGG Compound ID C00548
PubChem Compound ID 31229
SMILES CC(=O)OC1=CC=CC=C1
Source File Reference bmse000481
SpectraBase Batch ID 32TGPhCJFBK