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9-o-Methyl-10-hydroxy-coccineone_b

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

9-o-Methyl-10-hydroxy-coccineone_b
SpectraBase Compound ID F5iB1sFinUE
InChI InChI=1S/C17H12O7/c1-22-10-6-9-12(15(20)13(10)18)14(19)11-7-4-2-3-5-8(7)24-17(21)16(11)23-9/h2-6,17-18,20-21H,1H3
InChIKey YXNPWWDSZATZRH-UHFFFAOYSA-N
Mol Weight 328.28 g/mol
Molecular Formula C17H12O7
Exact Mass 328.058303 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID LF1tSywXC34
Name 9-o-Methyl-10-hydroxy-coccineone_b
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.058302719 u
Formula C17H12O7
InChI InChI=1S/C17H12O7/c1-22-10-6-9-12(15(20)13(10)18)14(19)11-7-4-2-3-5-8(7)24-17(21)16(11)23-9/h2-6,17-18,20-21H,1H3
InChIKey YXNPWWDSZATZRH-UHFFFAOYSA-N
Molecular Weight 328.276 g/mol
SMILES C=12OC(C3=C(C1C=CC=C2)C(C1=C(C(=C(C=C1O3)OC)O)O)=O)O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87191