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3,4,5-trimethoxybenzoic acid, 3-(2-pyridyl)propyl ester, hydrochloride
SpectraBase Compound ID 5B4W5aK3rUr
InChI InChI=1S/C18H21NO5.ClH/c1-21-15-11-13(12-16(22-2)17(15)23-3)18(20)24-10-6-8-14-7-4-5-9-19-14;/h4-5,7,9,11-12H,6,8,10H2,1-3H3;1H
InChIKey TWCICHBHALIBEQ-UHFFFAOYSA-N
Mol Weight 367.83 g/mol
Molecular Formula C18H22ClNO5
Exact Mass 367.118651 g/mol

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

1H Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2SAx68MhoRH
Name 3,4,5-trimethoxybenzoic acid, 3-(2-pyridyl)propyl ester, hydrochloride
Source of Sample H. O. Hankovszky, University Medical School, Pecs, Hungary
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Formula C18H22ClNO5
InChI InChI=1S/C18H21NO5.ClH/c1-21-15-11-13(12-16(22-2)17(15)23-3)18(20)24-10-6-8-14-7-4-5-9-19-14;/h4-5,7,9,11-12H,6,8,10H2,1-3H3;1H
InChIKey TWCICHBHALIBEQ-UHFFFAOYSA-N
Instrument Name Varian A-60
Literature Reference JMCH 9, 151(1966)
Sadtler NMR Number 5668M
Solvent CDCl3
Synonyms BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-/2-PYRIDYL/PROPYL ESTER, HYDROCHLORIDE 2-PYRIDINEPROPANOL, 3,4,5-TRIMETHOXY- BENZOATE, HYDROCHLORIDE