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2-Carboxy-6,7-dihydtro-3,9,10-trihydroxy-1-methylanthra-5,8-quinone
SpectraBase Compound ID 5IV25bd3SId
InChI InChI=1S/C16H12O7/c1-5-10-6(4-9(19)11(5)16(22)23)14(20)12-7(17)2-3-8(18)13(12)15(10)21/h4,19-21H,2-3H2,1H3,(H,22,23)
InChIKey UROACGDXXJJRQX-UHFFFAOYSA-N
Mol Weight 316.26 g/mol
Molecular Formula C16H12O7
Exact Mass 316.058303 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75mb6VxystX
Name 2-Carboxy-6,7-dihydtro-3,9,10-trihydroxy-1-methylanthra-5,8-quinone
Alternate Name(s) 3,9,10-trihydroxy-1-methyl-5,8-dioxo-5,6,7,8-tetrahydro-2-anthracenecarboxylic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H12O7
InChI InChI=1S/C16H12O7/c1-5-10-6(4-9(19)11(5)16(22)23)14(20)12-7(17)2-3-8(18)13(12)15(10)21/h4,19-21H,2-3H2,1H3,(H,22,23)
InChIKey UROACGDXXJJRQX-UHFFFAOYSA-N
Molecular Weight 316.265 g/mol
SMILES Oc1c2c(c(c3c1C(CCC3=O)=O)O)c(c(c(c2)O)C(=O)O)C
SPLASH splash10-00xr-3091000000-b4adf50b4581f6b95271
Source of Spectrum KC-0-3641-0
Wiley ID 823976