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2,9-Dinitrotricyclo[6.4.1.0(3,6)]trideca-1,3(6),7,9,11-pentaene
SpectraBase Compound ID 61hvqf07MWj
InChI InChI=1S/C13H10N2O4/c16-14(17)12-3-1-2-9-7-10(12)6-8-4-5-11(8)13(9)15(18)19/h1-3,6H,4-5,7H2
InChIKey XZBMQLVCNIRJAA-UHFFFAOYSA-N
Mol Weight 258.23 g/mol
Molecular Formula C13H10N2O4
Exact Mass 258.064057 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQ5SQU694Ec
Name 2,9-Dinitrotricyclo[6.4.1.0(3,6)]trideca-1,3(6),7,9,11-pentaene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H10N2O4
InChI InChI=1S/C13H10N2O4/c16-14(17)12-3-1-2-9-7-10(12)6-8-4-5-11(8)13(9)15(18)19/h1-3,6H,4-5,7H2
InChIKey XZBMQLVCNIRJAA-UHFFFAOYSA-N
Molecular Weight 258.233 g/mol
SMILES C=1(N(=O)=O)C2=C(C=C3CC1C=CC=C3N(=O)=O)CC2
SPLASH splash10-0ldr-0970000000-7b3c24e2af14a35ba562
Source of Spectrum Y1-45-8122-14
Wiley ID 1622269