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trans-3-Benzyl-4-methyl-5-trifluoromethyloxazolidin-2-one
SpectraBase Compound ID 3HvhJmN29Hi
InChI InChI=1S/C12H12F3NO2/c1-8-10(12(13,14)15)18-11(17)16(8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+/m1/s1
InChIKey FQOYGHBPULWCNK-SCZZXKLOSA-N
Mol Weight 259.23 g/mol
Molecular Formula C12H12F3NO2
Exact Mass 259.082013 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7krdUkN6HuY
Name trans-3-Benzyl-4-methyl-5-trifluoromethyloxazolidin-2-one
Comments Less than 3 mono-isotopic peaks
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Formula C12H12F3NO2
InChI InChI=1S/C12H12F3NO2/c1-8-10(12(13,14)15)18-11(17)16(8)7-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3/t8-,10+/m1/s1
InChIKey FQOYGHBPULWCNK-SCZZXKLOSA-N
Molecular Weight 259.228 g/mol
SMILES C1(N([C@@]([C@](O1)(C(F)(F)F)[H])(C)[H])Cc1ccccc1)=O
SPLASH splash10-052f-8090000000-1897b953d52f83087dc5
Source of Spectrum E2-48-118-6
Synonyms (4R,5S)-3-benzyl-4-methyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
Wiley ID 1555023