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3-(3-chloro-4-methoxyphenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-iminium 5,5-dioxide bromide
SpectraBase Compound ID CkUtmzgFmaB
InChI InChI=1S/C12H13ClN2O3S2.BrH/c1-18-10-3-2-7(4-8(10)13)15-9-5-20(16,17)6-11(9)19-12(15)14;/h2-4,9,11,14H,5-6H2,1H3;1H
InChIKey REKUJYZWWMRPAM-UHFFFAOYSA-N
Mol Weight 413.73 g/mol
Molecular Formula C12H14BrClN2O3S2
Exact Mass 411.931775 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5KmWhRnPDXN
Name 3-(3-chloro-4-methoxyphenyl)tetrahydrothieno[3,4-d][1,3]thiazol-2(3H)-iminium 5,5-dioxide bromide
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C12H13ClN2O3S2.BrH/c1-18-10-3-2-7(4-8(10)13)15-9-5-20(16,17)6-11(9)19-12(15)14;/h2-4,9,11,14H,5-6H2,1H3;1H
InChIKey REKUJYZWWMRPAM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_10191
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D68939; Labnumber: ExZader-0228; SBI_ID: SBI-010194
Temperature 318 °C