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2-(p-carboxybenzyl)isoquinolinium chloride, methyl ester
SpectraBase Compound ID I4ZV1oHV9G7
InChI InChI=1S/C18H16NO2.ClH/c1-21-18(20)16-8-6-14(7-9-16)12-19-11-10-15-4-2-3-5-17(15)13-19;/h2-11,13H,12H2,1H3;1H/q+1;/p-1
InChIKey WAYRZQQJNFDJET-UHFFFAOYSA-M
Mol Weight 313.78 g/mol
Molecular Formula C18H16ClNO2
Exact Mass 313.086956 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5rYnbRfR6vw
Name 2-(p-CARBOXYBENZYL)ISOQUINOLINIUM CHLORIDE, METHYL ESTER
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H16ClNO2
InChI InChI=1S/C18H16NO2.ClH/c1-21-18(20)16-8-6-14(7-9-16)12-19-11-10-15-4-2-3-5-17(15)13-19;/h2-11,13H,12H2,1H3;1H/q+1;/p-1
InChIKey WAYRZQQJNFDJET-UHFFFAOYSA-M
Melting Point 194C
Molecular Weight 313.79
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms ISOQUINOLINIUM CHLORIDE, 2-/P-CARBOXYBENZYL/-, METHYL ESTER