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1-[1-(N,N-Dimethylamino)ethyl]-2-(3,3,3-trifluoro-2-hydroxypropylthio)benzene
SpectraBase Compound ID 6qW1wZQpX2Q
InChI InChI=1S/C13H18F3NOS/c1-9(17(2)3)10-6-4-5-7-11(10)19-8-12(18)13(14,15)16/h4-7,9,12,18H,8H2,1-3H3/t9-,12+/m0/s1
InChIKey AXROXLPOBJAICX-JOYOIKCWSA-N
Mol Weight 293.35 g/mol
Molecular Formula C13H18F3NOS
Exact Mass 293.10612 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5WQKwKRyFsS
Name 1-[1-(N,N-Dimethylamino)ethyl]-2-(3,3,3-trifluoro-2-hydroxypropylthio)benzene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18F3NOS
InChI InChI=1S/C13H18F3NOS/c1-9(17(2)3)10-6-4-5-7-11(10)19-8-12(18)13(14,15)16/h4-7,9,12,18H,8H2,1-3H3/t9-,12+/m0/s1
InChIKey AXROXLPOBJAICX-JOYOIKCWSA-N
Molecular Weight 293.348 g/mol
SMILES O[C@@](C(F)(F)F)(CSc1c([C@@](N(C)C)(C)[H])cccc1)[H]
SPLASH splash10-000f-0690000000-99f2b033152b1c01bc2b
Source of Spectrum KC-0-1584-6
Synonyms 3-({2-[1-(dimethylamino)ethyl]phenyl}sulfanyl)-1,1,1-trifluoro-2-propanol
Wiley ID 822576