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1-[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene] pyrrolidinium hydrogen sulfate

View entire compound with spectra: 3 NMR, and 1 FTIR

1-[4-(5-bromo-6-hydroxy-3,4-xylyl)-1,3-dithiol-2-ylidene] pyrrolidinium hydrogen sulfate
SpectraBase Compound ID 6csJznbg1Qs
InChI InChI=1S/C15H16BrNOS2.H2O4S/c1-9-7-11(14(18)13(16)10(9)2)12-8-19-15(20-12)17-5-3-4-6-17;1-5(2,3)4/h7-8H,3-6H2,1-2H3;(H2,1,2,3,4)
InChIKey CAAHTQWCFILYQJ-UHFFFAOYSA-N
Mol Weight 468.4 g/mol
Molecular Formula C15H18BrNO5S3
Exact Mass 466.953049 g/mol

Transmission Infrared (IR) Spectrum

Transmission Infrared (IR) Spectrum

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SpectraBase Spectrum ID 1E0yWXCkMpQ
Name 1-[4-(5-BROMO-6-HYDROXY-3,4-XYLYL)-1,3-DITHIOL-2-YLIDENE]-PYRROLIDINIUM HYDROGEN SULFATE
Source of Sample A. CASCAVAL, POLYTECHNIC INSTITUTE OF IASSY, IASI, ROMANIA
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18BrNO5S3
InChI InChI=1S/C15H16BrNOS2.H2O4S/c1-9-7-11(14(18)13(16)10(9)2)12-8-19-15(20-12)17-5-3-4-6-17;1-5(2,3)4/h7-8H,3-6H2,1-2H3;(H2,1,2,3,4)
InChIKey CAAHTQWCFILYQJ-UHFFFAOYSA-N
Melting Point 227-228C
Molecular Weight 468.42
Technique KBr WAFER