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6-Acetyl-2-chloro-7-hydroxyjuglone
SpectraBase Compound ID 79AXTw1MEjx
InChI InChI=1S/C12H7ClO5/c1-4(14)9-7(15)2-5-10(12(9)18)8(16)3-6(13)11(5)17/h2-3,15,18H,1H3
InChIKey ALBHXJZPLIJTAI-UHFFFAOYSA-N
Mol Weight 266.64 g/mol
Molecular Formula C12H7ClO5
Exact Mass 265.998201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kg0FEoTPrgw
Name 6-Acetyl-2-chloro-7-hydroxyjuglone
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H7ClO5
InChI InChI=1S/C12H7ClO5/c1-4(14)9-7(15)2-5-10(12(9)18)8(16)3-6(13)11(5)17/h2-3,15,18H,1H3
InChIKey ALBHXJZPLIJTAI-UHFFFAOYSA-N
Molecular Weight 266.636 g/mol
SMILES Oc1c(c(cc2c1C(C=C(C2=O)Cl)=O)O)C(=O)C
SPLASH splash10-0udi-0090000000-0d398a20bf4aeaa4ede1
Source of Spectrum SO-0-706-8
Wiley ID 1544960