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Oxacillin sodium salt
SpectraBase Compound ID Ga6kHARIaXJ
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
Mol Weight 423.41876928 g/mol
Molecular Formula C19H18N3NaO5S
Exact Mass 423.086486 g/mol

Raman Spectrum

Raman Spectrum

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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
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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