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4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-azido-3,3-dimethyl-7-oxo-, phenylmethyl ester, [2S-(2.alpha.,5.alpha.,6.beta.)]-
SpectraBase Compound ID I0psDwwmBcg
InChI InChI=1S/C15H16N4O3S/c1-15(2)11(14(21)22-8-9-6-4-3-5-7-9)19-12(20)10(17-18-16)13(19)23-15/h3-7,10-11,13H,8H2,1-2H3/t10-,11+,13-/m1/s1
InChIKey SSSWOKABADZOGA-NTZNESFSSA-N
Mol Weight 332.38 g/mol
Molecular Formula C15H16N4O3S
Exact Mass 332.094312 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETUmwTjCLuQ
Name 4-Thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 6-azido-3,3-dimethyl-7-oxo-, phenylmethyl ester, [2S-(2.alpha.,5.alpha.,6.beta.)]-
CAS Registry Number 129096-81-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16N4O3S
InChI InChI=1S/C15H16N4O3S/c1-15(2)11(14(21)22-8-9-6-4-3-5-7-9)19-12(20)10(17-18-16)13(19)23-15/h3-7,10-11,13H,8H2,1-2H3/t10-,11+,13-/m1/s1
InChIKey SSSWOKABADZOGA-NTZNESFSSA-N
Molecular Weight 332.378 g/mol
SMILES [C@@]12(N([C@](C(S2)(C)C)(C(OCc2ccccc2)=O)[H])C([C@]1(N=[N+]=[N-])[H])=O)[H]
SPLASH splash10-0006-9300000000-7d38abfe3299d9aa9408
Source of Spectrum J-55-5117-25
Synonyms (2S,5R,6R)-benzyl 6-azido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate benzyl (2S,5R,6R)-6-azido-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
Wiley ID 1329105