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benzoin, benzoate

View entire compound with spectra: 2 NMR, 2 FTIR, 1 UV-Vis, and 3 MS (GC)

benzoin, benzoate
SpectraBase Compound ID 674wImxcAP4
InChI InChI=1S/C21H16O3/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(23)18-14-8-3-9-15-18/h1-15,20H
InChIKey FGOSBCXOMBLILW-UHFFFAOYSA-N
Mol Weight 316.36 g/mol
Molecular Formula C21H16O3
Exact Mass 316.109944 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CmF6lyOIwSU
Name BENZOIN, BENZOATE
Source of Sample Philadelphia College of Pharmacy & Science, Philadelphia, Pennsylvania
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H16O3
InChI InChI=1S/C21H16O3/c22-19(16-10-4-1-5-11-16)20(17-12-6-2-7-13-17)24-21(23)18-14-8-3-9-15-18/h1-15,20H
InChIKey FGOSBCXOMBLILW-UHFFFAOYSA-N
Melting Point 125C
Molecular Weight 316.36
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20