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Prednisone -C2H4O2
SpectraBase Compound ID IeIzJrkHrLz
InChI InChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h6-9,13-14,17,22H,3-5,10H2,1-2H3
InChIKey RYPDDBRMPKVRPY-UHFFFAOYSA-N
Mol Weight 298.38 g/mol
Molecular Formula C19H22O3
Exact Mass 298.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 16mGzU0YDI
Name Prednisone -C2H4O2
Classification Corticoid
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Exact Mass 298.156894565 u
Formula C19H22O3
InChI InChI=1S/C19H22O3/c1-18-8-7-12(20)9-11(18)3-4-13-14-5-6-16(22)19(14,2)10-15(21)17(13)18/h6-9,13-14,17,22H,3-5,10H2,1-2H3
InChIKey RYPDDBRMPKVRPY-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 298.382 g/mol
Related CAS Registry Number(s) 53-03-2
SMILES C12(C(C3C(C4(C(=CC(C=C4)=O)CC3)C)C(C1)=O)CC=C2O)C
SPLASH splash10-0c2c-7920000000-4874c203bc3b970f8b4e
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_5257