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5-sulfosalicylic acid, 5-[(1-methyl-4-pentadecyl-2(1H)-quinolylidene)hydraide]
SpectraBase Compound ID Ik2wTFLirPF
InChI InChI=1S/C32H45N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-23-31(35(2)29-20-17-16-19-27(25)29)33-34-41(39,40)26-21-22-30(36)28(24-26)32(37)38/h16-17,19-24,34,36H,3-15,18H2,1-2H3,(H,37,38)/b33-31+
InChIKey SSSBWHXRWLMDTI-QOSDPKFLSA-N
Mol Weight 583.8 g/mol
Molecular Formula C32H45N3O5S
Exact Mass 583.307993 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8iT2MfzowVg
Name 5-Sulfosalicylic acid, 5-[(1-methyl-4-pentadecyl-2(1H)-quinolylidene)hydraide]
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 583.307992730 u
Formula C32H45N3O5S
InChI InChI=1S/C32H45N3O5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-25-23-31(35(2)29-20-17-16-19-27(25)29)33-34-41(39,40)26-21-22-30(36)28(24-26)32(37)38/h16-17,19-24,34,36H,3-15,18H2,1-2H3,(H,37,38)/b33-31+
InChIKey SSSBWHXRWLMDTI-QOSDPKFLSA-N
Molecular Weight 583.788 g/mol
SMILES N(\N=C/1C=C(C=2C=CC=CC2N1C)CCCCCCCCCCCCCCC)S(C=1C=CC(=C(C1)C(O)=O)O)(=O)=O