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2-[N-(2-Phenylethyl)-N-(trifluoromethanesulfonyl)amino]ethanoic acid
SpectraBase Compound ID I2OOwrTr03O
InChI InChI=1S/C11H12F3NO4S/c12-11(13,14)20(18,19)15(8-10(16)17)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKey LDODHQWTKKIAKH-UHFFFAOYSA-N
Mol Weight 311.28 g/mol
Molecular Formula C11H12F3NO4S
Exact Mass 311.043914 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2SOwNkOO4En
Name 2-[N-(2-Phenylethyl)-N-(trifluoromethanesulfonyl)amino]ethanoic acid
Comments Less than 3 mono-isotopic peaks
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Formula C11H12F3NO4S
InChI InChI=1S/C11H12F3NO4S/c12-11(13,14)20(18,19)15(8-10(16)17)7-6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,16,17)
InChIKey LDODHQWTKKIAKH-UHFFFAOYSA-N
Molecular Weight 311.275 g/mol
SMILES OC(CN(S(C(F)(F)F)(=O)=O)CCc1ccccc1)=O
SPLASH splash10-0udi-0900000000-6bcfb1e2014a8093dbd6
Source of Spectrum H1-45-1125-1
Synonyms 2-[N-(2-Phenylethyl)-N-(trifluoromethanesulfonyl)amido]ethanoic acid {(2-phenylethyl)[(trifluoromethyl)sulfonyl]amino}acetic acid
Wiley ID 758305