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Apremilast artifact-2
SpectraBase Compound ID 78kh846MRaH
InChI InChI=1S/C12H18O4S/c1-4-16-12-9-10(5-6-11(12)15-2)7-8-17(3,13)14/h5-6,9H,4,7-8H2,1-3H3
InChIKey WQAGQLUXAAGTJW-UHFFFAOYSA-N
Mol Weight 258.33 g/mol
Molecular Formula C12H18O4S
Exact Mass 258.09258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8wHex5G2O62
Name Apremilast artifact-2
Classification Anti-inflammatory
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Exact Mass 258.092580230 u
Formula C12H16O4S
InChI InChI=1S/C12H18O4S/c1-4-16-12-9-10(5-6-11(12)15-2)7-8-17(3,13)14/h5-6,9H,4,7-8H2,1-3H3
InChIKey WQAGQLUXAAGTJW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 258.332 g/mol
SMILES c1c(c(cc(c1)CCS(C)(=O)=O)OCC)OC
SPLASH splash10-054k-3920000000-061d2333913306b37734
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_10487