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Methyl 7-(3',5'-dinitrobenzoyloxy)-2-methylbicyclo[6.4.0]dodecane-3-carboxylate
SpectraBase Compound ID GDeWPu6Hkn9
InChI InChI=1S/C22H28N2O8/c1-13-17-6-3-4-7-19(17)20(9-5-8-18(13)22(26)31-2)32-21(25)14-10-15(23(27)28)12-16(11-14)24(29)30/h10-13,17-20H,3-9H2,1-2H3
InChIKey ILQHXIYYGJVHQI-UHFFFAOYSA-N
Mol Weight 448.47 g/mol
Molecular Formula C22H28N2O8
Exact Mass 448.184566 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2cPy3KBHyi
Name Methyl 7-(3',5'-dinitrobenzoyloxy)-2-methylbicyclo[6.4.0]dodecane-3-carboxylate
Alternate Name(s) Methyl 10-[(3,5-dinitrobenzoyl)oxy]-5-methyldodecahydrobenzo[a]cyclooctene-6-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H28N2O8
InChI InChI=1S/C22H28N2O8/c1-13-17-6-3-4-7-19(17)20(9-5-8-18(13)22(26)31-2)32-21(25)14-10-15(23(27)28)12-16(11-14)24(29)30/h10-13,17-20H,3-9H2,1-2H3
InChIKey ILQHXIYYGJVHQI-UHFFFAOYSA-N
Molecular Weight 448.472 g/mol
SMILES C12C(C(CCCC(C2CCCC1)OC(c1cc(cc(c1)N(=O)=O)N(=O)=O)=O)C(=O)OC)C
SPLASH splash10-0pyj-9620000000-53a47df7dbd1bd0c92cc
Source of Spectrum D8-323-130-22
Wiley ID 1513558