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Pigment red 7
SpectraBase Compound ID 7JuuGkhQrxU
InChI InChI=1S/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(H,26,31)
InChIKey ITHKKUPWEBSLAJ-UHFFFAOYSA-N
Mol Weight 460.88 g/mol
Molecular Formula C24H17ClN4O4
Exact Mass 460.093833 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KTaWXfDRBGz
Name Pigment red 7
Comments Computed using HOSE algorithm
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Exact Mass 460.093832739 u
Formula C24H17ClN4O4
InChI InChI=1S/C24H17ClN4O4/c1-14-6-11-18(29(32)33)13-21(14)27-28-22-19-5-3-2-4-15(19)12-20(23(22)30)24(31)26-17-9-7-16(25)8-10-17/h2-13,30H,1H3,(H,26,31)
InChIKey ITHKKUPWEBSLAJ-UHFFFAOYSA-N
Molecular Weight 460.877 g/mol
SMILES N(=O)(=O)C=1C=CC(=C(C1)N=NC1=C(C(=CC2=C1C=CC=C2)C(=O)NC1=CC=C(C=C1)Cl)O)C