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3-(3-Chloro-3-formylpentyl)-1,4,5-trihydroxy-9,10-anthraquinone
SpectraBase Compound ID 1R4N53RsXxp
InChI InChI=1S/C20H17ClO6/c1-2-20(21,9-22)7-6-10-8-13(24)15-16(17(10)25)19(27)14-11(18(15)26)4-3-5-12(14)23/h3-5,8-9,23-25H,2,6-7H2,1H3
InChIKey ARTLVTTXPMHBAK-UHFFFAOYSA-N
Mol Weight 388.8 g/mol
Molecular Formula C20H17ClO6
Exact Mass 388.071366 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AzO8Oye6CSu
Name 3-(3-Chloro-3-formylpentyl)-1,4,5-trihydroxy-9,10-anthraquinone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H17ClO6
InChI InChI=1S/C20H17ClO6/c1-2-20(21,9-22)7-6-10-8-13(24)15-16(17(10)25)19(27)14-11(18(15)26)4-3-5-12(14)23/h3-5,8-9,23-25H,2,6-7H2,1H3
InChIKey ARTLVTTXPMHBAK-UHFFFAOYSA-N
Molecular Weight 388.803 g/mol
SMILES Oc1c2C(c3c(C(c2c(c(c1)CCC(Cl)(C=O)CC)O)=O)c(ccc3)O)=O
SPLASH splash10-00em-0089000000-17868759b214b68dde4f
Source of Spectrum K-113-3006-11g
Synonyms 2-Chloro-2-ethyl-4-(1,4,8-trihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)butanal
Wiley ID 1792824