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3,5-Dinitrobenzoic acid, 6-isopropenyl-3-methylcyclohex-3-enyl ester
SpectraBase Compound ID EmgqJbwvRGU
InChI InChI=1S/C17H18N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h4,7-9,15-16H,1,5-6H2,2-3H3
InChIKey NPBOSLGRMMRPSY-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C17H18N2O6
Exact Mass 346.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6FA7cYJ6OSG
Name 3,5-Dinitrobenzoic acid, 6-isopropenyl-3-methylcyclohex-3-enyl ester
Alternate Name(s) (3-methyl-6-prop-1-en-2-yl-cyclohex-3-en-1-yl) 3,5-dinitrobenzoate (6-isopropenyl-3-methyl-cyclohex-3-en-1-yl) 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid (6-isopropenyl-3-methyl-cyclohex-3-en-1-yl) ester 6-Isopropenyl-3-methyl-3-cyclohexen-1-yl 3,5-dinitrobenzoate 3,5-Dinitrobenzoic acid [3-methyl-6-(1-methylethenyl)-1-cyclohex-3-enyl] ester
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Formula C17H18N2O6
InChI InChI=1S/C17H18N2O6/c1-10(2)15-5-4-11(3)6-16(15)25-17(20)12-7-13(18(21)22)9-14(8-12)19(23)24/h4,7-9,15-16H,1,5-6H2,2-3H3
InChIKey NPBOSLGRMMRPSY-UHFFFAOYSA-N
Molecular Weight 346.339 g/mol
SMILES c1(N(=O)=O)cc(cc(c1)N(=O)=O)C(=O)OC1CC(=CCC1C(C)=C)C
SPLASH splash10-00l5-6900000000-6b3f0e27b7b0ee14cf60
Wiley ID 1475517