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Daphnoretin

View entire compound with spectra: 6 NMR, 1 FTIR, and 2 MS (GC)

Daphnoretin
SpectraBase Compound ID 8gNlp4RBRmW
InChI InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3
InChIKey JRHMMVBOTXEHGJ-UHFFFAOYSA-N
Mol Weight 352.3 g/mol
Molecular Formula C19H12O7
Exact Mass 352.058303 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IiZUEXjpyO3
Name Daphnoretin
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 352.058302719 u
Formula C19H12O7
InChI InChI=1S/C19H12O7/c1-23-16-6-11-7-17(19(22)26-15(11)9-13(16)20)24-12-4-2-10-3-5-18(21)25-14(10)8-12/h2-9,20H,1H3
InChIKey JRHMMVBOTXEHGJ-UHFFFAOYSA-N
Molecular Weight 352.298 g/mol
SMILES C=1(OC)C=C2C=C(C(OC2=CC1O)=O)OC1=CC=2OC(=O)C=CC2C=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.845651