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Pigment red 8

View entire compound with spectra: 1 NMR, 3 FTIR, and 1 MS (GC)

Pigment red 8
SpectraBase Compound ID 9XW0uSAkVQm
InChI InChI=1S/C25H19Cl2N3O2/c1-14-11-17(26)7-9-21(14)28-25(32)20-13-16-5-3-4-6-19(16)23(24(20)31)30-29-22-10-8-18(27)12-15(22)2/h3-13,31H,1-2H3,(H,28,32)/b30-29+
InChIKey KWORKYDIARWARF-QVIHXGFCSA-N
Mol Weight 464.35 g/mol
Molecular Formula C25H19Cl2N3O2
Exact Mass 463.085432 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID K6HIm0Rcayz
Name Pigment red 8
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 463.085432262 u
Formula C25H19Cl2N3O2
InChI InChI=1S/C25H19Cl2N3O2/c1-14-11-17(26)7-9-21(14)28-25(32)20-13-16-5-3-4-6-19(16)23(24(20)31)30-29-22-10-8-18(27)12-15(22)2/h3-13,31H,1-2H3,(H,28,32)/b30-29+
InChIKey KWORKYDIARWARF-QVIHXGFCSA-N
Molecular Weight 464.352 g/mol
SMILES N(C(C=1C(=C(\N=N\C2=C(C=C(C=C2)Cl)C)C2=C(C1)C=CC=C2)O)=O)C1=CC=C(C=C1C)Cl