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1-nitro-5-pentylanthracene-9,10-dione
SpectraBase Compound ID Jb30YUCJgAA
InChI InChI=1S/C19H17NO4/c1-2-3-4-7-12-8-5-9-13-16(12)18(21)14-10-6-11-15(20(23)24)17(14)19(13)22/h5-6,8-11H,2-4,7H2,1H3
InChIKey FJGKHCHPLNSDSC-UHFFFAOYSA-N
Mol Weight 323.35 g/mol
Molecular Formula C19H17NO4
Exact Mass 323.115758 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DGxMDOMOOvJ
Name 1-nitro-5-pentylanthracene-9,10-dione
Appearance Amorphous orange solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 323.115758027 u
Formula C19H17NO4
InChI InChI=1S/C19H17NO4/c1-2-3-4-7-12-8-5-9-13-16(12)18(21)14-10-6-11-15(20(23)24)17(14)19(13)22/h5-6,8-11H,2-4,7H2,1H3
InChIKey FJGKHCHPLNSDSC-UHFFFAOYSA-N
Instrument Name VG Micromass ZAB-2F
Ionization Type EI
Literature Reference DOI 10.1016/j.rechem.2023.100997
Molecular Weight 323.348 g/mol
Quality 22
Reported Formula C19H17NO4
SMILES C1=C(C2=C(C=C1)C(C1=C(C2=O)C=CC=C1CCCCC)=O)[N+]([O-])=O
SPLASH splash10-014i-0192000000-0e426e28b2d742fc7842
Source of Spectrum REC-6-12-4t (DOI: 10.1016/j.rechem.2023.100997)
Wiley ID 1911881