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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(4-methoxy-4-oxo-2-butenylidene)-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [2S-[2.alpha.,5.alpha.,6Z(Z)]]-
SpectraBase Compound ID GBIkxI4sryB
InChI InChI=1S/C19H25NO7S/c1-18(2,3)17(24)27-10-26-16(23)13-19(4,5)28-15-11(14(22)20(13)15)8-7-9-12(21)25-6/h7-9,13,15H,10H2,1-6H3/b9-7+,11-8-/t13-,15+/m0/s1
InChIKey DYAJJUSWSNITTO-JCYQYPCUSA-N
Mol Weight 411.47 g/mol
Molecular Formula C19H25NO7S
Exact Mass 411.135173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F9u1PwZVDlE
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 3,3-dimethyl-6-(4-methoxy-4-oxo-2-butenylidene)-7-oxo-, (2,2-dimethyl-1-oxopropoxy)methyl ester, [2S-[2.alpha.,5.alpha.,6Z(Z)]]-
CAS Registry Number 128227-61-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H25NO7S
InChI InChI=1S/C19H25NO7S/c1-18(2,3)17(24)27-10-26-16(23)13-19(4,5)28-15-11(14(22)20(13)15)8-7-9-12(21)25-6/h7-9,13,15H,10H2,1-6H3/b9-7+,11-8-/t13-,15+/m0/s1
InChIKey DYAJJUSWSNITTO-JCYQYPCUSA-N
Molecular Weight 411.469 g/mol
SMILES [C@@]12(N([C@](C(S2)(C)C)(C(OCOC(C(C)(C)C)=O)=O)[H])C(\C1=C/C=C/C(=O)OC)=O)[H]
SPLASH splash10-001i-9000000000-8f2c84043386616d0194
Source of Spectrum KC-1990-94-8
Synonyms Z,z-pivaloyloxymethyl 6-(3'-methoxycarbonylprop-2'-enyldene)-penicillance [(2,2-dimethylpropanoyl)oxy]methyl (2S,5R,6Z)-6-[(2E)-4-methoxy-4-oxo-2-butenylidene]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1374038