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Pigment red 9

View entire compound with spectra: 1 NMR, and 4 FTIR

Pigment red 9
SpectraBase Compound ID GSBzlthkVKL
InChI InChI=1S/C24H17Cl2N3O3/c1-32-21-9-5-4-8-19(21)27-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)29-28-20-13-15(25)10-11-18(20)26/h2-13,30H,1H3,(H,27,31)/b29-28+
InChIKey IBVDQFFVBKPVPB-ZQHSETAFSA-N
Mol Weight 466.32 g/mol
Molecular Formula C24H17Cl2N3O3
Exact Mass 465.064697 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7nyh5A9lVRk
Name Pigment red 9
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.064696816 u
Formula C24H17Cl2N3O3
InChI InChI=1S/C24H17Cl2N3O3/c1-32-21-9-5-4-8-19(21)27-24(31)17-12-14-6-2-3-7-16(14)22(23(17)30)29-28-20-13-15(25)10-11-18(20)26/h2-13,30H,1H3,(H,27,31)/b29-28+
InChIKey IBVDQFFVBKPVPB-ZQHSETAFSA-N
Molecular Weight 466.324 g/mol
Nominal Mass 465 u
SMILES N(C(C=1C(=C(\N=N\C2=C(C=CC(=C2)Cl)Cl)C2=C(C1)C=CC=C2)O)=O)C1=CC=CC=C1OC