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2,2-dichloro-3-methyl-4-pentenethioic acid S-ethyl ester
SpectraBase Compound ID EXLP02CaVmJ
InChI InChI=1S/C8H12Cl2OS/c1-4-6(3)8(9,10)7(11)12-5-2/h4,6H,1,5H2,2-3H3
InChIKey VZPULXRWFCZNNA-UHFFFAOYSA-N
Mol Weight 227.15 g/mol
Molecular Formula C8H12Cl2OS
Exact Mass 225.998592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8zhVE3ZXdMv
Name 2,2-dichloro-3-methyl-4-pentenethioic acid S-ethyl ester
Alternate Name(s) 2,2-dichloro-3-methyl-pent-4-enethioic acid S-ethyl ester S-ethyl 2,2-bis(chloranyl)-3-methyl-pent-4-enethioate S-ethyl 2,2-dichloro-3-methyl-pent-4-enethioate
CAS Registry Number 84473-38-1
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H12Cl2OS
InChI InChI=1S/C8H12Cl2OS/c1-4-6(3)8(9,10)7(11)12-5-2/h4,6H,1,5H2,2-3H3
InChIKey VZPULXRWFCZNNA-UHFFFAOYSA-N
Molecular Weight 227.149 g/mol
SMILES C(C(=O)SCC)(C(C=C)C)(Cl)Cl
SPLASH splash10-000i-9000000000-9e77e0369305eedd5a9c
Source of Spectrum J-48-865-0
Wiley ID 1226777