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Ibuprofen sodium salt
SpectraBase Compound ID 8PLwFw6D463
InChI InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
InChIKey PTTPUWGBPLLBKW-UHFFFAOYSA-M
Mol Weight 228.26676928 g/mol
Molecular Formula C13H17NaO2
Exact Mass 228.112624 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID C9QbPpUYZK2
Name Ibuprofen sodium salt
Source of Sample Sigma-Aldrich Company LLC
Catalog Number I1892
Lot Number 092K0843
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 3112-93-4
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Formula C13H17NaO2
InChI InChI=1S/C13H18O2.Na/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;/h4-7,9-10H,8H2,1-3H3,(H,14,15);/q;+1/p-1
InChIKey PTTPUWGBPLLBKW-UHFFFAOYSA-M
Instrument Name Bio-Rad FTS
SMILES c1c(ccc(c1)CC(C)C)C(C)C([O-])=O.[Na+]
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Technique ATR-Neat