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1-Tert-butyl-4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-3-thiosemicarbazide

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 UV-Vis

1-Tert-butyl-4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-3-thiosemicarbazide
SpectraBase Compound ID 6BW11C4pTWM
InChI InChI=1S/C13H15F6N3S/c1-11(2,3)22-21-10(23)20-9-5-7(12(14,15)16)4-8(6-9)13(17,18)19/h4-6,22H,1-3H3,(H2,20,21,23)
InChIKey UXTSLSYPJSTGQP-UHFFFAOYSA-N
Mol Weight 359.33 g/mol
Molecular Formula C13H15F6N3S
Exact Mass 359.089088 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KqMxKVPJsTc
Name 1-Tert-butyl-4-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-3-thiosemicarbazide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 359.089087647 u
Formula C13H15F6N3S
InChI InChI=1S/C13H15F6N3S/c1-11(2,3)22-21-10(23)20-9-5-7(12(14,15)16)4-8(6-9)13(17,18)19/h4-6,22H,1-3H3,(H2,20,21,23)
InChIKey UXTSLSYPJSTGQP-UHFFFAOYSA-N
Molecular Weight 359.334 g/mol
SMILES C(F)(F)(F)C=1C=C(C=C(C1)C(F)(F)F)NC(NNC(C)(C)C)=S