For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
(2S,5R,6S)-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester
SpectraBase Compound ID Gf5alzq2CYl
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-GMXVVIOVSA-N
Mol Weight 307.36 g/mol
Molecular Formula C15H17NO4S
Exact Mass 307.087829 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 4cn2lehZRSy
Name (2S,5R,6S)-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid (phenylmethyl) ester
Alternate Name(s) (2S,5R,6S)-6-hydroxy-7-keto-3,3-dimethyl-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid benzyl ester (phenylmethyl) (2S,5R,6S)-3,3-dimethyl-6-oxidanyl-7-oxidanylidene-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate benzyl (2S,5R,6S)-6-hydroxy-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate
CAS Registry Number 51056-25-8
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-GMXVVIOVSA-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 splash10-0006-9020000000-760f5ad23b90908ffe61
Source of Spectrum J-55-5116-24
Wiley ID 1308870