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Bicyclo[6.2.2]dodeca-9,11-diene-9,10-dicarboxylic acid, 1,8-dinitro-, diethyl ester
SpectraBase Compound ID HE6KLizH4Lu
InChI InChI=1S/C18H24N2O8/c1-3-27-15(21)13-14(16(22)28-4-2)18(20(25)26)10-8-6-5-7-9-17(13,11-12-18)19(23)24/h11-12H,3-10H2,1-2H3
InChIKey HTUJPWOVHCGWAN-UHFFFAOYSA-N
Mol Weight 396.4 g/mol
Molecular Formula C18H24N2O8
Exact Mass 396.153266 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LiBBBkeWrIz
Name Bicyclo[6.2.2]dodeca-9,11-diene-9,10-dicarboxylic acid, 1,8-dinitro-, diethyl ester
CAS Registry Number 101410-49-5
Comments Less than 3 mono-isotopic peaks
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Formula C18H24N2O8
InChI InChI=1S/C18H24N2O8/c1-3-27-15(21)13-14(16(22)28-4-2)18(20(25)26)10-8-6-5-7-9-17(13,11-12-18)19(23)24/h11-12H,3-10H2,1-2H3
InChIKey HTUJPWOVHCGWAN-UHFFFAOYSA-N
Molecular Weight 396.396 g/mol
SMILES C1(=C(C2(N(=O)=O)CCCCCCC1(N(=O)=O)C=C2)C(=O)OCC)C(=O)OCC
SPLASH splash10-0a4i-0090000000-f4ae760ba593a467f759
Source of Spectrum K-118-4167-4
Synonyms 1,8-Dinitrobicyclo[6.2.2]dodeca-9,10-dicarbonsaure-diethylester diethyl 1,8-dinitrobicyclo[6.2.2]dodeca-9,11-diene-9,10-dicarboxylate
Wiley ID 1367291