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2,5-Dihydro-2,2,5,5-tetrakis(trifluoromethyl)-4-thiazolylthiocyanate

View entire compound with spectra: 2 NMR, and 1 MS (GC)

2,5-Dihydro-2,2,5,5-tetrakis(trifluoromethyl)-4-thiazolylthiocyanate
SpectraBase Compound ID IfnIIxnevW1
InChI InChI=1S/C8F12N2S2/c9-5(10,11)3(6(12,13)14)2(23-1-21)22-4(24-3,7(15,16)17)8(18,19)20
InChIKey AXSFQUURDAIFPG-UHFFFAOYSA-N
Mol Weight 416.2 g/mol
Molecular Formula C8F12N2S2
Exact Mass 415.931128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KzzmztyAGWK
Name 2,5-Dihydro-2,2,5,5-tetrakis(trifluoromethyl)-4-thiazolylthiocyanate
Alternate Name(s) 2,2,5,5-tetrakis(trifluoromethyl)-2,5-dihydro-1,3-thiazol-4-yl thiocyanate
CAS Registry Number 124177-42-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8F12N2S2
InChI InChI=1S/C8F12N2S2/c9-5(10,11)3(6(12,13)14)2(23-1-21)22-4(24-3,7(15,16)17)8(18,19)20
InChIKey AXSFQUURDAIFPG-UHFFFAOYSA-N
Molecular Weight 416.203 g/mol
SMILES C1(N=C(SC#N)C(S1)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F
SPLASH splash10-0cdi-5493100000-d3e0c3839d8947272305
Source of Spectrum K-123-437-10
Wiley ID 1376139