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2-(2'-chloroprop-2'-enyl)-1-hydroxy-4-methoxy-3-(2''-oxopropyl)anthraquinone

View entire compound with spectra: 1 MS (GC)

2-(2'-chloroprop-2'-enyl)-1-hydroxy-4-methoxy-3-(2''-oxopropyl)anthraquinone
SpectraBase Compound ID HMLAfcZ6vuc
InChI InChI=1S/C21H17ClO5/c1-10(22)8-14-15(9-11(2)23)21(27-3)17-16(20(14)26)18(24)12-6-4-5-7-13(12)19(17)25/h4-7,26H,1,8-9H2,2-3H3
InChIKey SIZQZXCDAITCDT-UHFFFAOYSA-N
Mol Weight 384.82 g/mol
Molecular Formula C21H17ClO5
Exact Mass 384.076451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7hZ0WVmYvvE
Name 2-(2'-chloroprop-2'-enyl)-1-hydroxy-4-methoxy-3-(2''-oxopropyl)anthraquinone
Alternate Name(s) 2-(2'-Chloroprop-2'-enyl)-1-hydroxy-4-methoxy-3-(2''-oxopropyl)anthraquinone 2-(2-chloro-2-propenyl)-1-hydroxy-4-methoxy-3-(2-oxopropyl)anthra-9,10-quinone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17ClO5
InChI InChI=1S/C21H17ClO5/c1-10(22)8-14-15(9-11(2)23)21(27-3)17-16(20(14)26)18(24)12-6-4-5-7-13(12)19(17)25/h4-7,26H,1,8-9H2,2-3H3
InChIKey SIZQZXCDAITCDT-UHFFFAOYSA-N
Molecular Weight 384.815 g/mol
SMILES Oc1c2c(C(=O)c3c(C2=O)cccc3)c(OC)c(c1CC(=C)Cl)CC(=O)C
SPLASH splash10-0a4i-0009000000-2116e616838bfe421002
Source of Spectrum B-47-1561-0
Wiley ID 1361499