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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, phenylmethyl ester, 4,4-dioxide, (2S-cis)-
SpectraBase Compound ID DmUmj2MALld
InChI InChI=1S/C15H17NO5S/c1-15(2)13(16-11(17)8-12(16)22(15,19)20)14(18)21-9-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKey OCDQFKHQZSBKKW-OLZOCXBDSA-N
Mol Weight 323.36 g/mol
Molecular Formula C15H17NO5S
Exact Mass 323.082744 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AitQxkn0MkH
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-7-oxo-, phenylmethyl ester, 4,4-dioxide, (2S-cis)-
CAS Registry Number 69388-78-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO5S
InChI InChI=1S/C15H17NO5S/c1-15(2)13(16-11(17)8-12(16)22(15,19)20)14(18)21-9-10-6-4-3-5-7-10/h3-7,12-13H,8-9H2,1-2H3/t12-,13+/m1/s1
InChIKey OCDQFKHQZSBKKW-OLZOCXBDSA-N
Molecular Weight 323.363 g/mol
SMILES C1(S([C@]2(N([C@]1(C(OCc1ccccc1)=O)[H])C(C2)=O)[H])(=O)=O)(C)C
SPLASH splash10-01bj-4930000000-feaaceee1786bf55610c
Source of Spectrum J-55-5114-0
Synonyms (2S,5SR)benzyl 3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.1]heptane-2-carboxylate 4,4-dioxide benzyl (2S,5R)-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate 4,4-dioxide Benzyl penicillanate 1,1-dioxide (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester benzyl (2S,5R)-3,3-dimethyl-4,4,7-trioxo-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate (phenylmethyl) (2S,5R)-3,3-dimethyl-4,4,7-tris(oxidanylidene)-4$l^{6}-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1322322