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2-Phenylthio-10-hydroxy-9-methoxy-1,4-anthraquinone
SpectraBase Compound ID K1hRJ26OqEd
InChI InChI=1S/C21H14O4S/c1-25-21-14-10-6-5-9-13(14)19(23)17-15(22)11-16(20(24)18(17)21)26-12-7-3-2-4-8-12/h2-11,23H,1H3
InChIKey IZPDFXNZOUFNDT-UHFFFAOYSA-N
Mol Weight 362.4 g/mol
Molecular Formula C21H14O4S
Exact Mass 362.06128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqZJ4XNi6l3
Name 2-Phenylthio-10-hydroxy-9-methoxy-1,4-anthraquinone
Alternate Name(s) 10-hydroxy-9-methoxy-2-(phenylsulfanyl)-1,4-anthracenedione
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H14O4S
InChI InChI=1S/C21H14O4S/c1-25-21-14-10-6-5-9-13(14)19(23)17-15(22)11-16(20(24)18(17)21)26-12-7-3-2-4-8-12/h2-11,23H,1H3
InChIKey IZPDFXNZOUFNDT-UHFFFAOYSA-N
Molecular Weight 362.399 g/mol
SMILES Oc1c2c(c(OC)c3c1cccc3)C(=O)C(=CC2=O)Sc1ccccc1
SPLASH splash10-004i-9000000000-dad70895bf0e40dba191
Source of Spectrum F-53-1836-35
Wiley ID 800421