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1,5-BIS-(2-CHLOROPROPIONAMIDO)-ANTHRAQUINONE
SpectraBase Compound ID CVBjnzzix0N
InChI InChI=1S/C20H16Cl2N2O4/c21-9-7-15(25)23-13-5-1-3-11-17(13)20(28)12-4-2-6-14(18(12)19(11)27)24-16(26)8-10-22/h1-6H,7-10H2,(H,23,25)(H,24,26)
InChIKey PJWCTZAKVPQZSF-UHFFFAOYSA-N
Mol Weight 419.26 g/mol
Molecular Formula C20H16Cl2N2O4
Exact Mass 418.048712 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4q9gARMTOYL
Name 1,5-Bis(3-chloropropionamido)anthracene-9,10-dione
Alternate Name(s) 3-Chloro-N-{5-[(3-chloropropanoyl)amino]-9,10-dioxo-9,10-dihydro-1-anthracenyl}propanamide 3-Chloro-N-[5-[(3-chloro-1-oxopropyl)amino]-9,10-dioxo-1-anthracenyl]propanamide 3-Chloro-N-[5-(3-chloropropanoylamino)-9,10-dioxoanthracen-1-yl]propanamide 3-Chloro-N-[5-(3-chloropropanoylamino)-9,10-dioxo-1-anthryl]propanamide 3-Chloranyl-N-[5-(3-chloranylpropanoylamino)-9,10-bis(oxidanylidene)anthracen-1-yl]propanamide
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Formula C20H16Cl2N2O4
InChI InChI=1S/C20H16Cl2N2O4/c21-9-7-15(25)23-13-5-1-3-11-17(13)20(28)12-4-2-6-14(18(12)19(11)27)24-16(26)8-10-22/h1-6H,7-10H2,(H,23,25)(H,24,26)
InChIKey PJWCTZAKVPQZSF-UHFFFAOYSA-N
Molecular Weight 419.264 g/mol
SMILES N(c1c2c(C(c3c(cccc3C2=O)NC(CCCl)=O)=O)ccc1)C(CCCl)=O
SPLASH splash10-00yl-0002900000-8551aa9813c0e072f4ef
Source of Spectrum F2-41-4880-6
Wiley ID 1599890