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6'-Azido-2'-O,3'-N-carbonyl-4'-fluoro-2'-hydroxy-3'-(methylamino)cyclohexyl S-.alpha.-methoxy-.alpha.-(trifluoromethyl) phenylacetate

View entire compound with spectra: 1 MS (GC)

6'-Azido-2'-O,3'-N-carbonyl-4'-fluoro-2'-hydroxy-3'-(methylamino)cyclohexyl S-.alpha.-methoxy-.alpha.-(trifluoromethyl) phenylacetate
SpectraBase Compound ID 5r0B4PbEsD4
InChI InChI=1S/C18H18F4N4O5/c1-26-12-10(19)8-11(24-25-23)13(14(12)31-16(26)28)30-15(27)17(29-2,18(20,21)22)9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3/t10-,11?,12?,13?,14?,17?/m0/s1
InChIKey FWILQFWANMMFIK-REEPKIJRSA-N
Mol Weight 446.36 g/mol
Molecular Formula C18H18F4N4O5
Exact Mass 446.121332 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7NvxiSERkWK
Name 6'-Azido-2'-O,3'-N-carbonyl-4'-fluoro-2'-hydroxy-3'-(methylamino)cyclohexyl S-.alpha.-methoxy-.alpha.-(trifluoromethyl) phenylacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H18F4N4O5
InChI InChI=1S/C18H18F4N4O5/c1-26-12-10(19)8-11(24-25-23)13(14(12)31-16(26)28)30-15(27)17(29-2,18(20,21)22)9-6-4-3-5-7-9/h3-7,10-14H,8H2,1-2H3/t10-,11?,12?,13?,14?,17?/m0/s1
InChIKey FWILQFWANMMFIK-REEPKIJRSA-N
Molecular Weight 446.359 g/mol
SMILES C12C(N(C)C(O2)=O)[C@@](F)(CC(C1OC(C(C(F)(F)F)(c1ccccc1)OC)=O)N=[N+]=[N-])[H]
SPLASH splash10-000i-0900000000-5e388b2609f6a9dbb668
Source of Spectrum K-127-1695-14
Synonyms (4S)-6-azido-4-fluoro-3-methyl-2-oxooctahydro-1,3-benzoxazol-7-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
Wiley ID 1386467