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Angolensin, 2ac derivative

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

Angolensin, 2ac derivative
SpectraBase Compound ID JrlQV4BRZz6
InChI InChI=1S/C20H20O6/c1-12(15-5-7-16(24-4)8-6-15)20(23)18-10-9-17(25-13(2)21)11-19(18)26-14(3)22/h5-12H,1-4H3
InChIKey HWMCYZMPZSIVSE-UHFFFAOYSA-N
Mol Weight 356.37 g/mol
Molecular Formula C20H20O6
Exact Mass 356.125988 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FcDI5TROy8A
Name Angolensin, 2ac derivative
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 356.125988358 u
Formula C20H20O6
InChI InChI=1S/C20H20O6/c1-12(15-5-7-16(24-4)8-6-15)20(23)18-10-9-17(25-13(2)21)11-19(18)26-14(3)22/h5-12H,1-4H3
InChIKey HWMCYZMPZSIVSE-UHFFFAOYSA-N
Molecular Weight 356.374 g/mol
SMILES C1=C(C=CC(=C1)C(C(=O)C1=CC=C(C=C1OC(C)=O)OC(=O)C)C)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.934078