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4-Nitro-12-carboxy[2.2]paracyclophane
SpectraBase Compound ID Fko9n7niEq7
InChI InChI=1S/C17H15NO4/c19-17(20)15-9-11-1-5-13(15)6-2-12-4-8-14(7-3-11)16(10-12)18(21)22/h1,4-5,8-10H,2-3,6-7H2,(H,19,20)
InChIKey YTSAVBSAAUFNDR-UHFFFAOYSA-N
Mol Weight 297.31 g/mol
Molecular Formula C17H15NO4
Exact Mass 297.100108 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4KTkMKAOh6
Name 4-Nitro-12-carboxy[2.2]paracyclophane
Alternate Name(s) 11-nitrotricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylic acid
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Formula C17H15NO4
InChI InChI=1S/C17H15NO4/c19-17(20)15-9-11-1-5-13(15)6-2-12-4-8-14(7-3-11)16(10-12)18(21)22/h1,4-5,8-10H,2-3,6-7H2,(H,19,20)
InChIKey YTSAVBSAAUFNDR-UHFFFAOYSA-N
Molecular Weight 297.310 g/mol
SMILES OC(c1c2CCc3cc(N(=O)=O)c(cc3)CCc(c1)cc2)=O
SPLASH splash10-0005-6930000000-739ffd74206eaebfb106
Source of Spectrum QC-8-3879-14
Wiley ID 870291