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7,7,7-Trichloro-5-(ethylthio)heptan-2-one
SpectraBase Compound ID LHv2TkEtw8G
InChI InChI=1S/C9H15Cl3OS/c1-3-14-8(5-4-7(2)13)6-9(10,11)12/h8H,3-6H2,1-2H3
InChIKey HDIYQVPUJXVCPG-UHFFFAOYSA-N
Mol Weight 277.64 g/mol
Molecular Formula C9H15Cl3OS
Exact Mass 275.990919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2eEpihmApE
Name 7,7,7-Trichloro-5-(ethylthio)heptan-2-one
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H15Cl3OS
InChI InChI=1S/C9H15Cl3OS/c1-3-14-8(5-4-7(2)13)6-9(10,11)12/h8H,3-6H2,1-2H3
InChIKey HDIYQVPUJXVCPG-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/adsc.202000657
Molecular Weight 277.637 g/mol
Reported Formula C9H15Cl3OS
SMILES C(CC(CCC(C)=O)SCC)(Cl)(Cl)Cl
SPLASH splash10-05ai-2940000000-299af6a3571e339b1681
Source of Spectrum ASC-362-SM15-5c
Wiley ID 1855543