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Corymbiferin, 3me derivative

View entire compound with spectra: 1 NMR, and 1 FTIR

Corymbiferin, 3me derivative
SpectraBase Compound ID 9cc3FuaTuAm
InChI InChI=1S/C18H18O7/c1-20-9-6-7-10(21-2)16-13(9)15(19)14-11(22-3)8-12(23-4)17(24-5)18(14)25-16/h6-8H,1-5H3
InChIKey NQHBRPANNYTLDN-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C18H18O7
Exact Mass 346.105253 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID BNwo5wKP1w0
Name Corymbiferin, 3me derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 346.105252913 u
Formula C18H18O7
InChI InChI=1S/C18H18O7/c1-20-9-6-7-10(21-2)16-13(9)15(19)14-11(22-3)8-12(23-4)17(24-5)18(14)25-16/h6-8H,1-5H3
InChIKey NQHBRPANNYTLDN-UHFFFAOYSA-N
Molecular Weight 346.335 g/mol
SMILES C1=CC(=C2C(=C1OC)C(C1=C(O2)C(=C(C=C1OC)OC)OC)=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.939998