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Ethanethioic acid S-(5-bromo-2,6-dichloro-3-pyridinyl) ester
SpectraBase Compound ID I6o0ufY5Ig
InChI InChI=1S/C7H4BrCl2NOS/c1-3(12)13-5-2-4(8)6(9)11-7(5)10/h2H,1H3
InChIKey TZUBJBWXWJITKR-UHFFFAOYSA-N
Mol Weight 300.99 g/mol
Molecular Formula C7H4BrCl2NOS
Exact Mass 298.857403 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JacTfF2WqvY
Name Ethanethioic acid S-(5-bromo-2,6-dichloro-3-pyridinyl) ester
Alternate Name(s) Ethanethioic acid S-(5-bromo-2,6-dichloro-3-pyridyl) ester S-(5-bromo-2,6-dichloro-3-pyridyl) ethanethioate S-(5-bromo-2,6-dichloropyridin-3-yl) ethanethioate
CAS Registry Number 116588-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H4BrCl2NOS
InChI InChI=1S/C7H4BrCl2NOS/c1-3(12)13-5-2-4(8)6(9)11-7(5)10/h2H,1H3
InChIKey TZUBJBWXWJITKR-UHFFFAOYSA-N
Molecular Weight 300.985 g/mol
SMILES c1(nc(c(cc1SC(=O)C)Br)Cl)Cl
SPLASH splash10-052f-5290000000-dd89ba279ba0f4e2690a
Source of Spectrum Y-24-1570-9
Wiley ID 1301683