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O-methyl S-ethyl 2-(iodomethyl)-2-methylmonothiomalonate
SpectraBase Compound ID EXYvWjFhFtw
InChI InChI=1S/C8H13IO3S/c1-4-13-7(11)8(2,5-9)6(10)12-3/h4-5H2,1-3H3
InChIKey ZPLZLMZJJVQRQM-UHFFFAOYSA-N
Mol Weight 316.15 g/mol
Molecular Formula C8H13IO3S
Exact Mass 315.96301 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IJpU6uwhEl0
Name O-methyl S-ethyl 2-(iodomethyl)-2-methylmonothiomalonate
Alternate Name(s) Methyl 3-(ethylsulfanyl)-2-(iodomethyl)-2-methyl-3-oxopropanoate
CAS Registry Number 112818-17-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13IO3S
InChI InChI=1S/C8H13IO3S/c1-4-13-7(11)8(2,5-9)6(10)12-3/h4-5H2,1-3H3
InChIKey ZPLZLMZJJVQRQM-UHFFFAOYSA-N
Molecular Weight 316.153 g/mol
SMILES C(C(=O)SCC)(C(=O)OC)(CI)C
SPLASH splash10-004i-0952000000-730e8f1429d7ea44fa71
Source of Spectrum C-110-2573-40
Wiley ID 1316270