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1-METHYL-1-{1-[(3-METHYL-2-BENZOTHIAZOLINYLIDENE)CARBAMOYL]ETHYL}PIPERIDINIUMIODIDE

View entire compound with spectra: 1 NMR, and 1 FTIR

1-METHYL-1-{1-[(3-METHYL-2-BENZOTHIAZOLINYLIDENE)CARBAMOYL]ETHYL}PIPERIDINIUMIODIDE
SpectraBase Compound ID LVgry6SWjmI
InChI InChI=1S/C17H24N3OS.HI/c1-13(20(3)11-7-4-8-12-20)16(21)18-17-19(2)14-9-5-6-10-15(14)22-17;/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3;1H/q+1;/p-1/b18-17-;
InChIKey GFBBOAOUFPUNGR-YBFBCAGJSA-M
Mol Weight 445.36347 g/mol
Molecular Formula C17H24IN3OS
Exact Mass 445.068479 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1Lwu8dvo7Uh
Name 1-METHYL-1-{1-[(3-METHYL-2-BENZOTHIAZOLINYLIDENE)CARBAMOYL]ETHYL}PIPERIDINIUMIODIDE
Source of Sample G. Tsatsas, University of Athens, Athens, Greece
Comments Tentative assignment
Copyright Copyright © 1980, 1981-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H24IN3OS
InChI InChI=1S/C17H24N3OS.HI/c1-13(20(3)11-7-4-8-12-20)16(21)18-17-19(2)14-9-5-6-10-15(14)22-17;/h5-6,9-10,13H,4,7-8,11-12H2,1-3H3;1H/q+1;/p-1/b18-17-;
InChIKey GFBBOAOUFPUNGR-YBFBCAGJSA-M
Molecular Weight 445.37
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms PIPERIDINIUM IODIDE, 1-METHYL- 1-/1-//3-METHYL-2-BENZOTHIAZOLINYLIDENE/CARBAMOYL/ETHYL/-,