| SpectraBase Spectrum ID |
KjFGJDF8mqK |
| Name |
6-Aminopenicillanic acid, 2TMS |
| Alternate Name(s) |
Penicin, 2TMS
Penin, 2TMS
Aminopenicillanic acid, 2TMS
6-Aminopenicillanate, 2TMS
6-Aminopenicillanic acid, 2TMS
6-Apa, 2TMS
(2S,5R,6R)-6-amino-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, 2TMS
Trimethylsilyl (2S,5R,6R)-3,3-dimethyl-7-oxo-6-((trimethylsilyl)amino)-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate |
| Comments |
Derivatization type: 2 TMS (mass: 360.136); CC-BY: Oliver Fiehn, University of California, Davis; MoNA-ID: FiehnLib000758; Note: The molecular formula of the structure shown is C8H12N2O3S - which differs from the formula reported for the mass spectrum (C14H28N2O3SSi2) |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C14H28N2O3SSi2 |
| InChI |
InChI=1S/C14H28N2O3SSi2/c1-14(2)10(13(18)19-22(6,7)8)16-11(17)9(12(16)20-14)15-21(3,4)5/h9-10,12,15H,1-8H3/t9-,10+,12-/m1/s1 |
| InChIKey |
BWOXUJSTXNMORI-JFGNBEQYSA-N |
| Molecular Weight |
360.619 g/mol |
| SMILES |
N([C@@]1(C(N2[C@@](C(=O)O[Si](C)(C)C)(C(C)(C)S[C@]12[H])[H])=O)[H])[Si](C)(C)C |
| SPLASH |
splash10-0uxr-1930000000-51f19c9a62023820995a |
| Source of Spectrum |
FM-2019-758-0 |
| Wiley ID |
1818434 |
