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(S)-2-Benzoyloxy-3,3,3-trifluoro-1-phenylthiopropane
SpectraBase Compound ID 5w6izAdJryf
InChI InChI=1S/C16H13F3O2S/c17-16(18,19)14(11-22-13-9-5-2-6-10-13)21-15(20)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-/m1/s1
InChIKey IEAZFCWJDQABER-CQSZACIVSA-N
Mol Weight 326.33 g/mol
Molecular Formula C16H13F3O2S
Exact Mass 326.058835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0qDCfc6NTE
Name (S)-2-Benzoyloxy-3,3,3-trifluoro-1-phenylthiopropane
Alternate Name(s) (1S)-2,2,2-trifluoro-1-[(phenylsulfanyl)methyl]ethyl benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13F3O2S
InChI InChI=1S/C16H13F3O2S/c17-16(18,19)14(11-22-13-9-5-2-6-10-13)21-15(20)12-7-3-1-4-8-12/h1-10,14H,11H2/t14-/m1/s1
InChIKey IEAZFCWJDQABER-CQSZACIVSA-N
Molecular Weight 326.333 g/mol
SMILES C([C@](OC(=O)c1ccccc1)(CSc1ccccc1)[H])(F)(F)F
SPLASH splash10-0fb9-9310000000-1ab3237003fbc6c7a602
Source of Spectrum F-55-9169-11
Wiley ID 838736