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Chrysophanol
SpectraBase Compound ID JJZGJRFkiXm
InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKey LQGUBLBATBMXHT-UHFFFAOYSA-N
Mol Weight 254.24 g/mol
Molecular Formula C15H10O4
Exact Mass 254.057909 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3DUby8Ic6Iv
Name Chrysophanol, mono-TMS, isomer 2
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 254.057908798 u
Formula C15H10O4
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C15H10O4/c1-7-5-9-13(11(17)6-7)15(19)12-8(14(9)18)3-2-4-10(12)16/h2-6,16-17H,1H3
InChIKey LQGUBLBATBMXHT-UHFFFAOYSA-N
Molecular Weight 254.241 g/mol
Nominal Mass 254 u
Number of Peaks 230
SMILES Oc1cccc2C(c3cc(cc(c3C(c12)=O)O)C)=O
SPLASH splash10-03di-1229000000-f9120000408df0513b8f
Sample Description Underivatized structure given
Source non-completely silanised authentic (Sigma) preparation
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI000432