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(1-benzylsulfanyl-3,3,3-trifluoro-propyl) acetate
SpectraBase Compound ID DvfxETnMbow
InChI InChI=1S/C12H13F3O2S/c1-9(16)17-11(7-12(13,14)15)18-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey KHFWYNXFEHUQHN-UHFFFAOYSA-N
Mol Weight 278.29 g/mol
Molecular Formula C12H13F3O2S
Exact Mass 278.058835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1PAhC9yKZZb
Name (1-benzylsulfanyl-3,3,3-trifluoro-propyl) acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13F3O2S
InChI InChI=1S/C12H13F3O2S/c1-9(16)17-11(7-12(13,14)15)18-8-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3
InChIKey KHFWYNXFEHUQHN-UHFFFAOYSA-N
Molecular Weight 278.289 g/mol
SMILES C(CC(OC(=O)C)SCc1ccccc1)(F)(F)F
SPLASH splash10-014l-6090000000-bf8de916fb2908f7f770
Source of Spectrum KC-0-280-6
Synonyms Acetic acid [3,3,3-trifluoro-1-(phenylmethylthio)propyl] ester (1-benzylsulfanyl-3,3,3-trifluoropropyl) acetate [3,3,3-tris(fluoranyl)-1-(phenylmethylsulfanyl)propyl] ethanoate
Wiley ID 824285