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Ethinylestradiol AC
SpectraBase Compound ID AQM5K160VLu
InChI InChI=1S/C22H26O3/c1-4-22(24)12-10-20-19-7-5-15-13-16(25-14(2)23)6-8-17(15)18(19)9-11-21(20,22)3/h1,6,8,13,18-20,24H,5,7,9-12H2,2-3H3
InChIKey WHONTIANOSNSAH-UHFFFAOYSA-N
Mol Weight 338.45 g/mol
Molecular Formula C22H26O3
Exact Mass 338.188195 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 146NRmpcapo
Name Ethinylestradiol AC
Classification Estrogen
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Exact Mass 338.188194694 u
Formula C22H26O3
InChI InChI=1S/C22H26O3/c1-4-22(24)12-10-20-19-7-5-15-13-16(25-14(2)23)6-8-17(15)18(19)9-11-21(20,22)3/h1,6,8,13,18-20,24H,5,7,9-12H2,2-3H3
InChIKey WHONTIANOSNSAH-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 338.447 g/mol
Related CAS Registry Number(s) 57-63-6
SMILES C1(O)(C#C)CCC2C3CCc4cc(OC(=O)C)ccc4C3CCC12C
SPLASH splash10-03dj-3970000000-62b724697ae81691d9d9
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_5180