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TRIOCTYLMETHYL-AMMONIUM-SALICYLATE;[TOMA]-[SAL]

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TRIOCTYLMETHYL-AMMONIUM-SALICYLATE;[TOMA]-[SAL]
SpectraBase Compound ID 23K3k7MhJIx
InChI InChI=1S/C25H54N.C7H6O3/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;8-6-4-2-1-3-5(6)7(9)10/h5-25H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1
InChIKey JOQLKZSZRITYDG-UHFFFAOYSA-M
Mol Weight 505.83 g/mol
Molecular Formula C32H59NO3
Exact Mass 505.449495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eUacqSKiNE
Name TRIOCTYLMETHYL-AMMONIUM-SALICYLATE;[TOMA]-[SAL]
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C32H59NO3
InChI InChI=1S/C25H54N.C7H6O3/c1-5-8-11-14-17-20-23-26(4,24-21-18-15-12-9-6-2)25-22-19-16-13-10-7-3;8-6-4-2-1-3-5(6)7(9)10/h5-25H2,1-4H3;1-4,8H,(H,9,10)/q+1;/p-1
InChIKey JOQLKZSZRITYDG-UHFFFAOYSA-M
Literature Reference Author A.G.VENDILO,D.I.DJIGAILO,S.V.SMIRNOVA,I.I.TOROCHESHNIKOVA,K. I.POPOV,V.G.KRASOVSK
Literature Reference Citation MOLECULES,14,5001(2009)
Literature Reference DOI 10.3390/molecules14125001
Molecular Weight 505.825 g/mol
Sample ID 70052
Solvent DMSO-D6