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(2S,5R,6R)-6-deuterio-6-fluoro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester

View entire compound with spectra: 1 MS (GC)

(2S,5R,6R)-6-deuterio-6-fluoro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester
SpectraBase Compound ID 3wekwFd1VU8
InChI InChI=1S/C15H16FNO3S/c1-15(2)11(17-12(18)10(16)13(17)21-15)14(19)20-8-9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3/t10-,11+,13-/m1/s1/i10D
InChIKey VTSXPWNMYLITPW-VHSQNJHESA-N
Mol Weight 310.36 g/mol
Molecular Formula C15H15DFNO3S
Exact Mass 310.089769 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52YnaCvPz6V
Name (2S,5R,6R)-6-deuterio-6-fluoro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester
Alternate Name(s) (2S,5R,6R)-6-deuterio-6-fluoro-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester (phenylmethyl) (2S,5R,6R)-6-deuterio-6-fluoranyl-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate benzyl (2S,5R,6R)-6-deuterio-6-fluoro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
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Formula C15H15DFNO3S
InChI InChI=1S/C15H16FNO3S/c1-15(2)11(17-12(18)10(16)13(17)21-15)14(19)20-8-9-6-4-3-5-7-9/h3-7,10-11,13H,8H2,1-2H3/t10-,11+,13-/m1/s1/i10D
InChIKey VTSXPWNMYLITPW-VHSQNJHESA-N
Molecular Weight 310.362 g/mol
SMILES [C@@]12(N([C@](C(S2)(C)C)(C(OCc2ccccc2)=O)[H])C([C@]1(F)[D])=O)[H]
SPLASH splash10-0006-9100000000-673be1f658fed7cdb90e
Source of Spectrum J-59-3748-10
Wiley ID 1310532