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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-hydroxy-3,3-dimethyl-7-oxo-, phenylmethyl ester, [2R-(2.alpha.,5.beta.,6.beta.)]-
SpectraBase Compound ID KpHXzu8w74L
InChI InChI=1S/C15H17NO4S/c1-15(2)11(16-12(18)10(17)13(16)21-15)14(19)20-8-9-6-4-3-5-7-9/h3-7,10-11,13,17H,8H2,1-2H3/t10-,11+,13+/m0/s1
InChIKey XZNVUJIUQOYXIH-DMDPSCGWSA-N
Mol Weight 307.36 g/mol
Molecular Formula C15H17NO4S
Exact Mass 307.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hc76S5H4xtx
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-hydroxy-3,3-dimethyl-7-oxo-, phenylmethyl ester, [2R-(2.alpha.,5.beta.,6.beta.)]-
CAS Registry Number 128971-95-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H17NO4S
InChI InChI=1S/C15H17NO4S/c1-15(2)11(16-12(18)10(17)13(16)21-15)14(19)20-8-9-6-4-3-5-7-9/h3-7,10-11,13,17H,8H2,1-2H3/t10-,11+,13+/m0/s1
InChIKey XZNVUJIUQOYXIH-DMDPSCGWSA-N
Molecular Weight 307.364 g/mol
SMILES O[C@]1(C(N2[C@@]1(SC([C@]2(C(OCc1ccccc1)=O)[H])(C)C)[H])=O)[H]
SPLASH splash10-002f-9051000000-5f0d97f8ccef131e6d59
Source of Spectrum J-55-5116-0
Synonyms (2R,S,5R,6S)-benzyl 6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate benzyl (2R,5R,6S)-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1308869