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Etonogestrel TFA
SpectraBase Compound ID FhpPfCCaSBi
InChI InChI=1S/C24H27F3O3/c1-4-22-13-14(3)20-17-9-7-16(28)12-15(17)6-8-18(20)19(22)10-11-23(22,5-2)30-21(29)24(25,26)27/h2,12,17-20H,3-4,6-11,13H2,1H3
InChIKey YOJNSSPODCLEHN-UHFFFAOYSA-N
Mol Weight 420.47 g/mol
Molecular Formula C24H27F3O3
Exact Mass 420.191229 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CnFnx4QnGNB
Name Etonogestrel TFA
Classification Gestagen
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Exact Mass 420.191229215 u
Formula C24H27O3F3
InChI InChI=1S/C24H27F3O3/c1-4-22-13-14(3)20-17-9-7-16(28)12-15(17)6-8-18(20)19(22)10-11-23(22,5-2)30-21(29)24(25,26)27/h2,12,17-20H,3-4,6-11,13H2,1H3
InChIKey YOJNSSPODCLEHN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 420.472 g/mol
SMILES C1C2C(=CC(C1)=O)CCC1C2C(CC2(C1CCC2(C#C)OC(C(F)(F)F)=O)CC)=C
SPLASH splash10-0fi0-3920000000-f694f3cecaeb5041fd6c
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_8182