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1-[(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)sulfonyl]-2-[N-(alpha,alpha,alpha-trifluoro-p-toluoyl)methionyl]hydrazine

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1-[(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)sulfonyl]-2-[N-(alpha,alpha,alpha-trifluoro-p-toluoyl)methionyl]hydrazine
SpectraBase Compound ID 1fvOhQYsxxI
InChI InChI=1S/C21H18F9N3O4S2/c1-38-7-6-16(31-17(34)11-2-4-12(5-3-11)19(22,23)24)18(35)32-33-39(36,37)15-9-13(20(25,26)27)8-14(10-15)21(28,29)30/h2-5,8-10,16,33H,6-7H2,1H3,(H,31,34)(H,32,35)
InChIKey LYBKRYRDEMATEG-UHFFFAOYSA-N
Mol Weight 611.5 g/mol
Molecular Formula C21H18F9N3O4S2
Exact Mass 611.059502 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8rcgOCKxgPj
Name 1-[(alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylyl)sulfonyl]-2-[N-(alpha,alpha,alpha-trifluoro-p-toluoyl)methionyl]hydrazine
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 611.059501883 u
Formula C21H18F9N3O4S2
InChI InChI=1S/C21H18F9N3O4S2/c1-38-7-6-16(31-17(34)11-2-4-12(5-3-11)19(22,23)24)18(35)32-33-39(36,37)15-9-13(20(25,26)27)8-14(10-15)21(28,29)30/h2-5,8-10,16,33H,6-7H2,1H3,(H,31,34)(H,32,35)
InChIKey LYBKRYRDEMATEG-UHFFFAOYSA-N
Molecular Weight 611.498 g/mol
SMILES N(C(C1=CC=C(C=C1)C(F)(F)F)=O)C(C(NNS(C=1C=C(C=C(C1)C(F)(F)F)C(F)(F)F)(=O)=O)=O)CCSC