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2-[3-(3-Trifluoromethylphenyl)-1,2,4-thiadiazol-5-yl]-1,1,2-ethentricarbonitrile
SpectraBase Compound ID 4UBDxUKI0Xw
InChI InChI=1S/C14H4F3N5S/c15-14(16,17)10-3-1-2-8(4-10)12-21-13(23-22-12)11(7-20)9(5-18)6-19/h1-4H
InChIKey QTJBDCMXMZFWCE-UHFFFAOYSA-N
Mol Weight 331.28 g/mol
Molecular Formula C14H4F3N5S
Exact Mass 331.013951 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LelwYYje0PO
Name 2-[3-(3-Trifluoromethylphenyl)-1,2,4-thiadiazol-5-yl]-1,1,2-ethentricarbonitrile
Alternate Name(s) 2-{3-[3-(trifluoromethyl)phenyl]-1,2,4-thiadiazol-5-yl}-1,1,2-ethylenetricarbonitrile
CAS Registry Number 57459-17-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H4F3N5S
InChI InChI=1S/C14H4F3N5S/c15-14(16,17)10-3-1-2-8(4-10)12-21-13(23-22-12)11(7-20)9(5-18)6-19/h1-4H
InChIKey QTJBDCMXMZFWCE-UHFFFAOYSA-N
Molecular Weight 331.276 g/mol
SMILES c1(nc(ns1)-c1cc(C(F)(F)F)ccc1)C(=C(C#N)C#N)C#N
SPLASH splash10-0w29-0392000000-117fe38102428b38b8ff
Source of Spectrum J-41-623-0
Wiley ID 1328505