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2-Methyl-3-propylbenzothiazolium iodide

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

2-Methyl-3-propylbenzothiazolium iodide
SpectraBase Compound ID 4X6ChEtMvp3
InChI InChI=1S/C11H14NS.HI/c1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;/h4-7H,3,8H2,1-2H3;1H/q+1;/p-1
InChIKey UGRAXKCTCJHEGH-UHFFFAOYSA-M
Mol Weight 319.2 g/mol
Molecular Formula C11H14INS
Exact Mass 318.989166 g/mol

13C Nuclear Magnetic Resonance (NMR) Spectrum

13C Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IMwgJq4KYD2
Name 2-Methyl-3-propylbenzothiazolium iodide
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 363294
CAS Registry Number 60126-29-6
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H14INS
InChI InChI=1S/C11H14NS.HI/c1-3-8-12-9(2)13-11-7-5-4-6-10(11)12;/h4-7H,3,8H2,1-2H3;1H/q+1;/p-1
InChIKey UGRAXKCTCJHEGH-UHFFFAOYSA-M
Observed nucleus 13C
Purity 97%
Solvent DMSO-d6
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_13CNMR_007600