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2-Methyl-5-chloro-3-N-ethyl-D3-benzothiazoliumiodide
SpectraBase Compound ID A6B3HbichKF
InChI InChI=1S/C10H11ClNS.HI/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;/h4-6H,3H2,1-2H3;1H/q+1;/p-1/i1D3;
InChIKey JYJVFOJNPHDLFC-NIIDSAIPSA-M
Mol Weight 342.64 g/mol
Molecular Formula C10H8D3ClINS
Exact Mass 341.953373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3UcyrHKbEvT
Name 2-Methyl-5-chloro-3-N-ethyl-D3-benzothiazoliumiodide
CAS Registry Number 33599-36-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8D3ClINS
InChI InChI=1S/C10H11ClNS.HI/c1-3-12-7(2)13-10-5-4-8(11)6-9(10)12;/h4-6H,3H2,1-2H3;1H/q+1;/p-1/i1D3;
InChIKey JYJVFOJNPHDLFC-NIIDSAIPSA-M
Molecular Weight 342.641 g/mol
SMILES [I-].c1([n+](c2c(s1)ccc(c2)Cl)CC([D])([D])[D])C
SPLASH splash10-01sr-0930000000-eef19d4603597392847a
Source of Spectrum O-5-548-1
Wiley ID 50544