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2-(Trifluoromethylsulfanyl)ethynylbenzene
SpectraBase Compound ID 957LzMH8v5f
InChI InChI=1S/C9H5F3S/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h1-5H
InChIKey XMGKHJYSXPUKNW-UHFFFAOYSA-N
Mol Weight 202.19 g/mol
Molecular Formula C9H5F3S
Exact Mass 202.006406 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3s8vHiiwN4n
Name 2-(Trifluoromethylsulfanyl)ethynylbenzene
CAS Registry Number 2002-89-3
Comments Removed - unrepairable contamination (CH2Cl2)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H5F3S
InChI InChI=1S/C9H5F3S/c10-9(11,12)13-7-6-8-4-2-1-3-5-8/h1-5H
InChIKey XMGKHJYSXPUKNW-UHFFFAOYSA-N
Molecular Weight 202.194 g/mol
SMILES C(SC#Cc1ccccc1)(F)(F)F
SPLASH splash10-000i-9020000000-4b02d4a99e2812de57f4
Source of Spectrum K-121-1836-1
Synonyms 2-(Trifluoromethylthio)ethynylbenzene
Wiley ID 1199259