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Kanzonol-C

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

Kanzonol-C
SpectraBase Compound ID 8G7VhwiAm9X
InChI InChI=1S/C25H28O4/c1-16(2)5-9-19-15-18(7-12-22(19)26)8-13-23(27)21-11-14-24(28)20(25(21)29)10-6-17(3)4/h5-8,11-15,26,28-29H,9-10H2,1-4H3/b13-8+
InChIKey CBGDCCSHOGQUSW-MDWZMJQESA-N
Mol Weight 392.5 g/mol
Molecular Formula C25H28O4
Exact Mass 392.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID KEqkjVgiWUr
Name Kanzonol-C
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 392.198759378 u
Formula C25H28O4
InChI InChI=1S/C25H28O4/c1-16(2)5-9-19-15-18(7-12-22(19)26)8-13-23(27)21-11-14-24(28)20(25(21)29)10-6-17(3)4/h5-8,11-15,26,28-29H,9-10H2,1-4H3/b13-8+
InChIKey CBGDCCSHOGQUSW-MDWZMJQESA-N
Molecular Weight 392.495 g/mol
SMILES C1(O)=C(C=C(\C=C\C(=O)C2=C(O)C(=C(O)C=C2)CC=C(C)C)C=C1)CC=C(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889258