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6,7-DIMETHOXY-1-(4-FLUOROPHENYL)-3-METHYL-N-(5',6',7',8'-TETRAHYDRO-[1,2,4]-TRIAZOLO-[5,1-B]-[1,3]-THIAZEPIN-2'-YL)-ISOQUINOLINIUM-BROMIDE

View entire compound with spectra: 1 NMR

6,7-DIMETHOXY-1-(4-FLUOROPHENYL)-3-METHYL-N-(5',6',7',8'-TETRAHYDRO-[1,2,4]-TRIAZOLO-[5,1-B]-[1,3]-THIAZEPIN-2'-YL)-ISOQUINOLINIUM-BROMIDE
SpectraBase Compound ID DG0EgtwPWfU
InChI InChI=1S/C24H24FN4O2S.BrH/c1-15-12-17-13-20(30-2)21(31-3)14-19(17)22(16-6-8-18(25)9-7-16)29(15)23-26-24-28(27-23)10-4-5-11-32-24;/h6-9,12-14H,4-5,10-11H2,1-3H3;1H/q+1;/p-1
InChIKey QEKSKOAWTSHEFK-UHFFFAOYSA-M
Mol Weight 531.44 g/mol
Molecular Formula C24H24BrFN4O2S
Exact Mass 530.078738 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2pte7GJzzEX
Name 6,7-DIMETHOXY-1-(4-FLUOROPHENYL)-3-METHYL-N-(5',6',7',8'-TETRAHYDRO-[1,2,4]-TRIAZOLO-[5,1-B]-[1,3]-THIAZEPIN-2'-YL)-ISOQUINOLINIUM-BROMIDE
Compound Number 17/1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C24H24BrFN4O2S
InChI InChI=1S/C24H24FN4O2S.BrH/c1-15-12-17-13-20(30-2)21(31-3)14-19(17)22(16-6-8-18(25)9-7-16)29(15)23-26-24-28(27-23)10-4-5-11-32-24;/h6-9,12-14H,4-5,10-11H2,1-3H3;1H/q+1;/p-1
InChIKey QEKSKOAWTSHEFK-UHFFFAOYSA-M
Literature Reference Author I.PRAUDA,J.REITER
Literature Reference Citation J.HETCYCL.CHEM.,40,1041(2003)
Literature Reference DOI 10.1002/jhet.5570400612
Molecular Weight 531.443 g/mol
Solvent CDCl3
Source File Reference UWMS22956