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N-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2-thiomorpholinosuccinimide

View entire compound with spectra: 3 NMR, 1 FTIR, and 1 Raman

N-(alpha,alpha,alpha,alpha',alpha',alpha'-hexafluoro-3,5-xylyl)-2-thiomorpholinosuccinimide
SpectraBase Compound ID L7dWwF1C2fO
InChI InChI=1S/C16H14F6N2O2S/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)24-13(25)8-12(14(24)26)23-1-3-27-4-2-23/h5-7,12H,1-4,8H2
InChIKey MUJITSAXKPFILS-UHFFFAOYSA-N
Mol Weight 412.35 g/mol
Molecular Formula C16H14F6N2O2S
Exact Mass 412.068018 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9TzWtEQfDAW
Name N-(alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-3,5-xylyl)-2-thiomorpholinosuccinimide
Comments Computed using HOSE algorithm
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Exact Mass 412.068017849 u
Formula C16H14F6N2O2S
InChI InChI=1S/C16H14F6N2O2S/c17-15(18,19)9-5-10(16(20,21)22)7-11(6-9)24-13(25)8-12(14(24)26)23-1-3-27-4-2-23/h5-7,12H,1-4,8H2
InChIKey MUJITSAXKPFILS-UHFFFAOYSA-N
Molecular Weight 412.350 g/mol
SMILES C(F)(F)(F)C1=CC(=CC(=C1)N1C(C(CC1=O)N1CCSCC1)=O)C(F)(F)F