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(3R,5R,6S)-6-amino-2,2-dimethyl-3-(methylthio)-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one

View entire compound with spectra: 1 MS (GC)

(3R,5R,6S)-6-amino-2,2-dimethyl-3-(methylthio)-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
SpectraBase Compound ID Au6Ul0Gnxck
InChI InChI=1S/C14H18N2OS2/c1-13(2)12(18-3)19-14(9-7-5-4-6-8-9)10(15)11(17)16(13)14/h4-8,10,12H,15H2,1-3H3/t10-,12+,14+/m0/s1
InChIKey ALKYQZFSEGFHHF-ZKYQVNSYSA-N
Mol Weight 294.43 g/mol
Molecular Formula C14H18N2OS2
Exact Mass 294.086056 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KEgpeZFT2cw
Name (3R,5R,6S)-6-amino-2,2-dimethyl-3-(methylthio)-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
CAS Registry Number 109880-82-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H18N2OS2
InChI InChI=1S/C14H18N2OS2/c1-13(2)12(18-3)19-14(9-7-5-4-6-8-9)10(15)11(17)16(13)14/h4-8,10,12H,15H2,1-3H3/t10-,12+,14+/m0/s1
InChIKey ALKYQZFSEGFHHF-ZKYQVNSYSA-N
Molecular Weight 294.431 g/mol
SMILES N[C@]1(C(=O)N2[C@@]1(S[C@@](SC)(C2(C)C)[H])c1ccccc1)[H]
SPLASH splash10-0uds-7920000000-56114a6a07bd929fa3cf
Source of Spectrum H-69-1432-8
Synonyms (3R,5R,6S)-6-azanyl-2,2-dimethyl-3-methylsulfanyl-5-phenyl-4-thia-1-azabicyclo[3.2.0]heptan-7-one
Wiley ID 1296870