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7(6)-Chloro-6(7)-ethyl-2,5,8-trihydroxy-3-nitronaphthalene-1,4-dione
SpectraBase Compound ID JCeWQy2AfpI
InChI InChI=1S/C12H8ClNO7/c1-2-3-6(13)9(16)5-4(8(3)15)10(17)7(14(20)21)12(19)11(5)18/h15-16,19H,2H2,1H3
InChIKey ZIMGWWLXTNHJPQ-UHFFFAOYSA-N
Mol Weight 313.65 g/mol
Molecular Formula C12H8ClNO7
Exact Mass 312.998929 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 71uc1Ne8A3c
Name 7(6)-Chloro-6(7)-ethyl-2,5,8-trihydroxy-3-nitronaphthalene-1,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H8ClNO7
InChI InChI=1S/C12H8ClNO7/c1-2-3-6(13)9(16)5-4(8(3)15)10(17)7(14(20)21)12(19)11(5)18/h15-16,19H,2H2,1H3
InChIKey ZIMGWWLXTNHJPQ-UHFFFAOYSA-N
Molecular Weight 313.649 g/mol
SMILES Oc1c2C(C(=C(C(c2c(c(c1CC)Cl)O)=O)O)N(=O)=O)=O
SPLASH splash10-014i-2293000000-185ed3ae6fa85f7cb5b8
Source of Spectrum F4-43-3354-5h
Wiley ID 1690511