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2-Anthraceneacetic acid, 9,10-dihydro-4,5,7-trihydroxy-9-methyl-10-oxo-
SpectraBase Compound ID 2YsV2gImaUa
InChI InChI=1S/C17H14O6/c1-7-10-2-8(4-14(21)22)3-12(19)15(10)17(23)16-11(7)5-9(18)6-13(16)20/h2-3,5-7,18-20H,4H2,1H3,(H,21,22)
InChIKey HNTWJOXSZIONBF-UHFFFAOYSA-N
Mol Weight 314.29 g/mol
Molecular Formula C17H14O6
Exact Mass 314.079038 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8P5OJZS2j9V
Name 2-Anthraceneacetic acid, 9,10-dihydro-4,5,7-trihydroxy-9-methyl-10-oxo-
Alternate Name(s) (4,5,7-trihydroxy-9-methyl-10-oxo-9,10-dihydro-2-anthracenyl)acetic acid 1,6,8-Trihydroxy-3-(hydroxycarbonylmethyl)-9-methyl-anthrace-10-one
CAS Registry Number 115731-86-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H14O6
InChI InChI=1S/C17H14O6/c1-7-10-2-8(4-14(21)22)3-12(19)15(10)17(23)16-11(7)5-9(18)6-13(16)20/h2-3,5-7,18-20H,4H2,1H3,(H,21,22)
InChIKey HNTWJOXSZIONBF-UHFFFAOYSA-N
Molecular Weight 314.293 g/mol
SMILES Oc1cc(cc2c1C(c1c(cc(CC(=O)O)cc1C2C)O)=O)O
SPLASH splash10-0j4j-0095000000-5c3998331d557a284c44
Source of Spectrum C-110-6192-18
Wiley ID 1314979