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2-(Morpholine-4-carbonyl)phenyl trifluoromethanesulfonate
SpectraBase Compound ID 5sBgEcgnDl0
InChI InChI=1S/C12H12F3NO5S/c13-12(14,15)22(18,19)21-10-4-2-1-3-9(10)11(17)16-5-7-20-8-6-16/h1-4H,5-8H2
InChIKey IMEDHEZXFCHBBD-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 K1hKXwybIDD
Name 2-(Morpholine-4-carbonyl)phenyl trifluoromethanesulfonate
Appearance Viscous oil
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Exact Mass 339.038828148 u
Formula C12H12F3NO5S
InChI InChI=1S/C12H12F3NO5S/c13-12(14,15)22(18,19)21-10-4-2-1-3-9(10)11(17)16-5-7-20-8-6-16/h1-4H,5-8H2
InChIKey IMEDHEZXFCHBBD-UHFFFAOYSA-N
Instrument Name AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/chem.201702015
Molecular Weight 339.285 g/mol
Quality 376
Reported Formula C12H12O5NF3S
SMILES C1OCCN(C1)C(=O)C1=C(C=CC=C1)OS(C(F)(F)F)(=O)=O
SPLASH splash10-0n2c-9220000000-9c1569603c6c0a80b258
Source of Spectrum QE-23-13376-3c (DOI: 10.1002/chem.201702015)
Wiley ID 1905847