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

View entire compound with spectra: 1 MS (GC)

(2S,5R)-6,6-dichloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
SpectraBase Compound ID SfTxOgfj4Z
InChI InChI=1S/C14H19Cl2NO5S/c1-12(2,3)11(20)22-6-21-8(18)7-13(4,5)23-10-14(15,16)9(19)17(7)10/h7,10H,6H2,1-5H3/t7-,10+/m0/s1
InChIKey JQFFXHMTNBUWEY-OIBJUYFYSA-N
Mol Weight 384.27 g/mol
Molecular Formula C14H19Cl2NO5S
Exact Mass 383.036099 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FsoDU8FDsux
Name (2S,5R)-6,6-dichloro-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (2,2-dimethyl-1-oxopropoxy)methyl ester
CAS Registry Number 124593-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H19Cl2NO5S
InChI InChI=1S/C14H19Cl2NO5S/c1-12(2,3)11(20)22-6-21-8(18)7-13(4,5)23-10-14(15,16)9(19)17(7)10/h7,10H,6H2,1-5H3/t7-,10+/m0/s1
InChIKey JQFFXHMTNBUWEY-OIBJUYFYSA-N
Molecular Weight 384.274 g/mol
SMILES [C@@]12(N([C@](C(S2)(C)C)(C(OCOC(C(C)(C)C)=O)=O)[H])C(C1(Cl)Cl)=O)[H]
SPLASH splash10-0a4i-9000000000-04a49d70949a164454a1
Source of Spectrum J-55-3676-3
Synonyms (2S,5R)-6,6-dichloro-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid pivaloyloxymethyl ester 2,2-Dimethylpropanoyloxymethyl (2S,5R)-6,6-bis(chloranyl)-3,3-dimethyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1360960