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7,7,7-trifluoro-2,2-dimethyl-5-(propylthio)-3-heptanone
SpectraBase Compound ID 41nZrx5sYI6
InChI InChI=1S/C12H21F3OS/c1-5-6-17-9(8-12(13,14)15)7-10(16)11(2,3)4/h9H,5-8H2,1-4H3
InChIKey QEHOWIYJRXLIGQ-UHFFFAOYSA-N
Mol Weight 270.35 g/mol
Molecular Formula C12H21F3OS
Exact Mass 270.126521 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3RJefxXPMMA
Name 7,7,7-trifluoro-2,2-dimethyl-5-(propylthio)-3-heptanone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H21F3OS
InChI InChI=1S/C12H21F3OS/c1-5-6-17-9(8-12(13,14)15)7-10(16)11(2,3)4/h9H,5-8H2,1-4H3
InChIKey QEHOWIYJRXLIGQ-UHFFFAOYSA-N
Molecular Weight 270.354 g/mol
SMILES C(CC(CC(C(C)(C)C)=O)SCCC)(F)(F)F
SPLASH splash10-05fr-5950000000-7db7651b05516fdaaafc
Source of Spectrum KC-0-281-8
Synonyms 7,7,7-trifluoro-2,2-dimethyl-5-(propylthio)heptan-3-one 7,7,7-trifluoro-2,2-dimethyl-5-propylsulfanyl-heptan-3-one 7,7,7-tris(fluoranyl)-2,2-dimethyl-5-propylsulfanyl-heptan-3-one
Wiley ID 824282