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2,2,2-Trifluoro-1-((1S,2S)-2-(thiophen-2-yl)cyclopropyl)ethan-1-ol
SpectraBase Compound ID 6MGm3xdGqhs
InChI InChI=1S/C9H9F3OS/c10-9(11,12)8(13)6-4-5(6)7-2-1-3-14-7/h1-3,5-6,8,13H,4H2/t5-,6-,8?/m0/s1
InChIKey FQZJWVYSCZEMTG-AJFZSALYSA-N
Mol Weight 222.23 g/mol
Molecular Formula C9H9F3OS
Exact Mass 222.032621 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IzO5hXwoOrJ
Name 2,2,2-Trifluoro-1-((1S,2S)-2-(thiophen-2-yl)cyclopropyl)ethan-1-ol
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 222.032620572 u
Formula C9H9F3OS
InChI InChI=1S/C9H9F3OS/c10-9(11,12)8(13)6-4-5(6)7-2-1-3-14-7/h1-3,5-6,8,13H,4H2/t5-,6-,8?/m0/s1
InChIKey FQZJWVYSCZEMTG-AJFZSALYSA-N
Instrument Name Agilent 7890A-5975C
Ionization Type EI
Literature Reference DOI 10.1002/anie.201804614
Molecular Weight 222.225 g/mol
Quality 165
SMILES OC([C@@]1([C@@](C2=CC=CS2)(C1)[H])[H])C(F)(F)F
SPLASH splash10-00di-3920000000-1cb3a5fb94242b0c27cc
Source of Spectrum ACI-57-SM29-SI-6f (DOI: 10.1002/anie.201804614)
Thin-Layer Chromatography 0.50 (petroleum ether/EtOAc, 9:1)
Wiley ID 1893077