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3-Chloro-2-acetoxy-5-methoxy-1,4-naphthoquinone
SpectraBase Compound ID 8E5KTu81f0b
InChI InChI=1S/C13H9ClO5/c1-6(15)19-13-10(14)12(17)9-7(11(13)16)4-3-5-8(9)18-2/h3-5H,1-2H3
InChIKey XAWCJQGKURXAJO-UHFFFAOYSA-N
Mol Weight 280.66 g/mol
Molecular Formula C13H9ClO5
Exact Mass 280.013851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5kxSQdBTgIN
Name 3-Chloro-2-acetoxy-5-methoxy-1,4-naphthoquinone
Alternate Name(s) 3-Chloro-5-methoxy-1,4-dioxo-1,4-dihydro-2-naphthalenyl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9ClO5
InChI InChI=1S/C13H9ClO5/c1-6(15)19-13-10(14)12(17)9-7(11(13)16)4-3-5-8(9)18-2/h3-5H,1-2H3
InChIKey XAWCJQGKURXAJO-UHFFFAOYSA-N
Molecular Weight 280.663 g/mol
SMILES C1(=C(C(=O)c2c(C1=O)cccc2OC)Cl)OC(=O)C
SPLASH splash10-000i-0090000000-03038464fbc387a81ce9
Source of Spectrum B-52-1169-30
Wiley ID 746816