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4-(Morpholine-4-carbonyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID CWGBRXsQ29q
InChI InChI=1S/C12H12F3NO5S/c13-12(14,15)22(18,19)21-10-3-1-9(2-4-10)11(17)16-5-7-20-8-6-16/h1-4H,5-8H2
InChIKey WGSHXXURTKJFMP-UHFFFAOYSA-N
Mol Weight 339.29 g/mol
Molecular Formula C12H12F3NO5S
Exact Mass 339.038828 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2dlAkv3yQC
Name 4-(Morpholine-4-carbonyl)phenyl trifluoromethanesulfonate
Appearance White solid
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Exact Mass 339.038828148 u
Formula C12H12F3NO5S
InChI InChI=1S/C12H12F3NO5S/c13-12(14,15)22(18,19)21-10-3-1-9(2-4-10)11(17)16-5-7-20-8-6-16/h1-4H,5-8H2
InChIKey WGSHXXURTKJFMP-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702015
Molecular Weight 339.285 g/mol
Quality 288
Reported Formula C12H12F3NO5S
SMILES C1=CC(=CC=C1OS(C(F)(F)F)(=O)=O)C(=O)N1CCOCC1
SPLASH splash10-0ldi-9141000000-ebeee1216216f34210c1
Source of Spectrum QE-23-13376-3a (DOI: 10.1002/chem.201702015)
Wiley ID 1905845