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3-methyl-2-[2-(4-nitrophenyl)ethyl]-1,3-benzothiazol-3-ium iodide
SpectraBase Compound ID 9LqblN5jT7a
InChI InChI=1S/C16H15N2O2S.HI/c1-17-14-4-2-3-5-15(14)21-16(17)11-8-12-6-9-13(10-7-12)18(19)20;/h2-7,9-10H,8,11H2,1H3;1H/q+1;/p-1
InChIKey JODUUTGTFVELIL-UHFFFAOYSA-M
Mol Weight 426.27 g/mol
Molecular Formula C16H15IN2O2S
Exact Mass 425.989894 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 5BHvHO0VZxp
Name 3-methyl-2-[2-(4-nitrophenyl)ethyl]-1,3-benzothiazol-3-ium iodide
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/C16H15N2O2S.HI/c1-17-14-4-2-3-5-15(14)21-16(17)11-8-12-6-9-13(10-7-12)18(19)20;/h2-7,9-10H,8,11H2,1H3;1H/q+1;/p-1
InChIKey JODUUTGTFVELIL-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15351
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: 987/00001798; Labnumber: 987/00001798218821; VK_ID: VK-015356
Temperature 318 °C