| SpectraBase Spectrum ID |
96phPnvrl0e |
| Name |
Oxacillin sodium salt |
| Source of Sample |
Cayman Chemical Company |
| Catalog Number |
23954 |
| Lot Number |
0523339-1 |
| CAS Registry Number |
1173-88-2 |
| Cell Type |
NMR tube |
| Compound Type |
Pure |
| Copyright |
Copyright © 2015-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C19H18N3NaO5S |
| IUPAC Name |
(2S,5R,6R)-3,3-Dimethyl-6-[[(5-methyl-3-phenyl-4-isoxazolyl)carbonyl]amino]-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid, monosodium salt |
| InChI |
InChI=1S/C19H19N3O5S.Na/c1-9-11(12(21-27-9)10-7-5-4-6-8-10)15(23)20-13-16(24)22-14(18(25)26)19(2,3)28-17(13)22;/h4-8,13-14,17H,1-3H3,(H,20,23)(H,25,26);/q;+1/p-1/t13-,14+,17-;/m1./s1 |
| InChIKey |
VDUVBBMAXXHEQP-SLINCCQESA-M |
| Raman Corrections |
Referenced to internal white light source; 180 degree backscatter |
| Raman Laser Power |
1104 mW |
| Raman Laser Source |
Nd:YAG |
| SMILES |
N([C@@]1(C(N2[C@@]1(SC([C@@]2(C([O-])=O)[H])(C)C)[H])=O)[H])C(=O)c1c(onc1-c1ccccc1)C.[Na+] |
| Scans Performed |
2048 |
| Source of Spectrum |
Forensic Spectral Research |
| Synonyms |
Micropenin; NSC 527712; SQ16423 |
| Technique |
FT-Raman |
