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Propolys p-hydroxybenzoate - diacetyl derivative

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

Propolys p-hydroxybenzoate - diacetyl derivative
SpectraBase Compound ID 2GaldtyMBGQ
InChI InChI=1S/C21H20O7/c1-14(22)27-18-9-7-17(8-10-18)21(24)26-12-4-5-16-6-11-19(28-15(2)23)20(13-16)25-3/h4-11,13H,12H2,1-3H3/b5-4+
InChIKey BOFPSTMHKOMEJP-SNAWJCMRSA-N
Mol Weight 384.38 g/mol
Molecular Formula C21H20O7
Exact Mass 384.120903 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F7MuMqeFX0P
Name Propolys p-hydroxybenzoate - diacetyl derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 384.120902977 u
Formula C21H20O7
InChI InChI=1S/C21H20O7/c1-14(22)27-18-9-7-17(8-10-18)21(24)26-12-4-5-16-6-11-19(28-15(2)23)20(13-16)25-3/h4-11,13H,12H2,1-3H3/b5-4+
InChIKey BOFPSTMHKOMEJP-SNAWJCMRSA-N
Molecular Weight 384.384 g/mol
SMILES C(C1=CC=C(OC(=O)C)C=C1)(=O)OC\C=C\C1=CC(OC)=C(C=C1)OC(=O)C