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Rubiadin

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

Rubiadin
SpectraBase Compound ID HCS6cibWC2p
InChI InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
InChIKey IRZTUXPRIUZXMP-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 ESL4lL9gTxz
Name Rubiadin
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H10O4
InChI InChI=1S/C15H10O4/c1-7-11(16)6-10-12(13(7)17)15(19)9-5-3-2-4-8(9)14(10)18/h2-6,16-17H,1H3
InChIKey IRZTUXPRIUZXMP-UHFFFAOYSA-N
Molecular Weight 254.241 g/mol
SMILES Oc1c(c(cc2c1C(c1c(C2=O)cccc1)=O)O)C
SPLASH splash10-0udi-0090000000-3f342ea8b5aa00c3b282
Source of Spectrum E1-40-1505-13
Synonyms 1,3-dihydroxy-2-methyl-9,10-anthraquinone 1,3-dihydroxy-2-methyl-anthracene-9,10-dione 2-methyl-1,3-bis(oxidanyl)anthracene-9,10-dione
Wiley ID 1519464