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3-dodecyl-2-(methylsulfanyl)-1,3-benzothiazol-3-ium methyl sulfate

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3-dodecyl-2-(methylsulfanyl)-1,3-benzothiazol-3-ium methyl sulfate
SpectraBase Compound ID JoQDsfZ1OOv
InChI InChI=1S/C20H32NS2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-14-17-21-18-15-12-13-16-19(18)23-20(21)22-2;1-5-6(2,3)4/h12-13,15-16H,3-11,14,17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey XMPZWCYDHYORQJ-UHFFFAOYSA-M
Mol Weight 461.7 g/mol
Molecular Formula C21H35NO4S3
Exact Mass 461.172822 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Vloj32VLdA
Name 3-dodecyl-2-(methylsulfanyl)-1,3-benzothiazol-3-ium methyl sulfate
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/C20H32NS2.CH4O4S/c1-3-4-5-6-7-8-9-10-11-14-17-21-18-15-12-13-16-19(18)23-20(21)22-2;1-5-6(2,3)4/h12-13,15-16H,3-11,14,17H2,1-2H3;1H3,(H,2,3,4)/q+1;/p-1
InChIKey XMPZWCYDHYORQJ-UHFFFAOYSA-M
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_15353
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: 987/00001800; Labnumber: 987/00001800218821; VK_ID: VK-015358
Temperature 318 °C