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N-(1H-Benzimidazol-2-yl)-2,2,2-trifluoroethanethioamide
SpectraBase Compound ID D6RFElAjeQW
InChI InChI=1S/C9H6F3N3S/c10-9(11,12)7(16)15-8-13-5-3-1-2-4-6(5)14-8/h1-4H,(H2,13,14,15,16)
InChIKey MBMHQLKNBIRTEP-UHFFFAOYSA-N
Mol Weight 245.22 g/mol
Molecular Formula C9H6F3N3S
Exact Mass 245.023453 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4UziSSyz758
Name N-(1H-Benzimidazol-2-yl)-2,2,2-trifluoroethanethioamide
Appearance Bright yellow powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H6F3N3S
InChI InChI=1S/C9H6F3N3S/c10-9(11,12)7(16)15-8-13-5-3-1-2-4-6(5)14-8/h1-4H,(H2,13,14,15,16)
InChIKey MBMHQLKNBIRTEP-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP2010 Ultra
Ionization Type EI
Literature Reference DOI 10.24820/ark.5550190.p010.200
Molecular Weight 245.223 g/mol
SMILES [nH]1c(nc2c1cccc2)NC(C(F)(F)F)=S
SPLASH splash10-004j-0920000000-a52eb09275533bb64887
Source of Spectrum ARK-2017-233-2g
Wiley ID 1840878