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trans-1-acetonyl-4-(acetonylthio)-3-hydroxy-2-azetidinone, p-chlorobenzenesulfonate (ester)
SpectraBase Compound ID CrkZHvfULTw
InChI InChI=1S/C15H16ClNO6S2/c1-9(18)7-17-14(20)13(15(17)24-8-10(2)19)23-25(21,22)12-5-3-11(16)4-6-12/h3-6,13,15H,7-8H2,1-2H3/t13-,15+/s2
InChIKey ROPBQYYCGIXSDA-UYWMCZCJSA-N
Mol Weight 405.87 g/mol
Molecular Formula C15H16ClNO6S2
Exact Mass 405.010757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HWNAgXYjomO
Name trans-1-ACETONYL-4-(ACETONYLTHIO)-3-HYDROXY-2-AZETIDINONE,p-CHLOROBENZENESULFONATE (ESTER)
Source of Sample R. Lattrell, Hoechst AG, Frankfurt/Main, Germany
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16ClNO6S2
InChI InChI=1S/C15H16ClNO6S2/c1-9(18)7-17-14(20)13(15(17)24-8-10(2)19)23-25(21,22)12-5-3-11(16)4-6-12/h3-6,13,15H,7-8H2,1-2H3/t13-,15+/s2
InChIKey ROPBQYYCGIXSDA-UYWMCZCJSA-N
Melting Point 73C
Molecular Weight 405.87
Solvent Chloroform-d; Reference=TMS Spectrometer= Varian CFT-20
Synonyms 2-AZETIDINONE, 1-ACETONYL- 4-/ACETONYLTHIO/-3-HYDROXY-, P-CHLOROBENZENESULFONATE (ESTER), trans-,