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2,2-dichloro-3,3-dimethyl-4-pentenethioic acid S-ethyl ester
SpectraBase Compound ID I7jkuy7phK0
InChI InChI=1S/C9H14Cl2OS/c1-5-8(3,4)9(10,11)7(12)13-6-2/h5H,1,6H2,2-4H3
InChIKey NIMRSWJZTAAHHQ-UHFFFAOYSA-N
Mol Weight 241.18 g/mol
Molecular Formula C9H14Cl2OS
Exact Mass 240.014242 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 29nsTIWIWlr
Name 2,2-dichloro-3,3-dimethyl-4-pentenethioic acid S-ethyl ester
CAS Registry Number 84473-37-0
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14Cl2OS
InChI InChI=1S/C9H14Cl2OS/c1-5-8(3,4)9(10,11)7(12)13-6-2/h5H,1,6H2,2-4H3
InChIKey NIMRSWJZTAAHHQ-UHFFFAOYSA-N
Molecular Weight 241.176 g/mol
SMILES C(C(=O)SCC)(C(C=C)(C)C)(Cl)Cl
SPLASH splash10-000i-9000000000-26608c38ffa135366605
Source of Spectrum J-48-865-0
Synonyms 2,2-dichloro-3,3-dimethyl-pent-4-enethioic acid S-ethyl ester S-ethyl 2,2-bis(chloranyl)-3,3-dimethyl-pent-4-enethioate S-ethyl 2,2-dichloro-3,3-dimethyl-pent-4-enethioate
Wiley ID 1242382