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5,8-Dinitro-1H,3H-benzo[de]isochromene-1,3-dione
SpectraBase Compound ID KKOxbwTGuiR
InChI InChI=1S/C12H4N2O7/c15-11-8-3-6(13(17)18)1-5-2-7(14(19)20)4-9(10(5)8)12(16)21-11/h1-4H
InChIKey LHFDXTKVBLMYJH-UHFFFAOYSA-N
Mol Weight 288.17 g/mol
Molecular Formula C12H4N2O7
Exact Mass 288.00185 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9vS5JOSMQlG
Name 5,8-Dinitro-1H,3H-benzo[de]isochromene-1,3-dione
CAS Registry Number 3807-80-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H4N2O7
InChI InChI=1S/C12H4N2O7/c15-11-8-3-6(13(17)18)1-5-2-7(14(19)20)4-9(10(5)8)12(16)21-11/h1-4H
InChIKey LHFDXTKVBLMYJH-UHFFFAOYSA-N
Molecular Weight 288.171 g/mol
SMILES c12C(OC(c3c2c(cc(N(=O)=O)c3)cc(N(=O)=O)c1)=O)=O
SPLASH splash10-00dj-6930000000-2b74d5dd04ad86d2d489
Source of Spectrum AD-0-2532-0
Synonyms 1H,3H-Benzo[de]isochromene-1,3-dione, 5,8-dinitro- 1H,3H-Naphtho[1,8-cd]pyran-1,3-dione, 5,8-dinitro- 5,8-Dinitrobenzo[de]isochromene-1,3-dione
Wiley ID 1419031