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1-nitro-8-pentylanthracene-9,10-dione
SpectraBase Compound ID IinoX7dAVyh
InChI InChI=1S/C19H17NO4/c1-2-3-4-7-12-8-5-9-13-16(12)19(22)17-14(18(13)21)10-6-11-15(17)20(23)24/h5-6,8-11H,2-4,7H2,1H3
InChIKey AXKKATBHWPWHPR-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 77fhWUiGEsx
Name 1-nitro-8-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)19(22)17-14(18(13)21)10-6-11-15(17)20(23)24/h5-6,8-11H,2-4,7H2,1H3
InChIKey AXKKATBHWPWHPR-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 29
Reported Formula C19H17NO4
SMILES C=1C=CC=2C(=O)C=3C=CC=C(CCCCC)C3C(=O)C2C1[N+]([O-])=O
SPLASH splash10-001i-0093000000-0aca31964512ae4ee71f
Source of Spectrum REC-6-12-3t (DOI: 10.1016/j.rechem.2023.100997)
Wiley ID 1911876