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2-(3-Chloropropionamido)-1,8-dihydroxy-9,10-anthracenedione
SpectraBase Compound ID 56lLHeC5mv6
InChI InChI=1S/C17H12ClNO5/c18-7-6-12(21)19-10-5-4-9-14(16(10)23)17(24)13-8(15(9)22)2-1-3-11(13)20/h1-5,20,23H,6-7H2,(H,19,21)
InChIKey MQHDCTJSEUAAOW-UHFFFAOYSA-N
Mol Weight 345.74 g/mol
Molecular Formula C17H12ClNO5
Exact Mass 345.0404 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FwvIkHP3ELD
Name 2-(3-Chloropropionamido)-1,8-dihydroxy-9,10-anthracenedione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12ClNO5
InChI InChI=1S/C17H12ClNO5/c18-7-6-12(21)19-10-5-4-9-14(16(10)23)17(24)13-8(15(9)22)2-1-3-11(13)20/h1-5,20,23H,6-7H2,(H,19,21)
InChIKey MQHDCTJSEUAAOW-UHFFFAOYSA-N
Molecular Weight 345.738 g/mol
SMILES Oc1c2C(c3c(c(ccc3C(c2ccc1)=O)NC(CCCl)=O)O)=O
SPLASH splash10-0a4i-0095000000-d80d4dd40c0550d38f18
Source of Spectrum APC-322-544-17
Synonyms 3-Chloro-N-(1,8-dihydroxy-9,10-dioxo-9,10-dihydroanthracen-2-yl)propanamide
Wiley ID 1788613