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Mestranol AC
SpectraBase Compound ID LeMmj5ncA2w
InChI InChI=1S/C23H28O3/c1-5-23(26-15(2)24)13-11-21-20-8-6-16-14-17(25-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,7,9,14,19-21H,6,8,10-13H2,2-4H3
InChIKey VUOXWYSHLSLTID-UHFFFAOYSA-N
Mol Weight 352.47 g/mol
Molecular Formula C23H28O3
Exact Mass 352.203845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27bcZseZE6Z
Name Mestranol AC
Classification Estrogen
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Exact Mass 352.203844759 u
Formula C23H28O3
InChI InChI=1S/C23H28O3/c1-5-23(26-15(2)24)13-11-21-20-8-6-16-14-17(25-4)7-9-18(16)19(20)10-12-22(21,23)3/h1,7,9,14,19-21H,6,8,10-13H2,2-4H3
InChIKey VUOXWYSHLSLTID-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 352.474 g/mol
SMILES C1(OC(C)=O)(C2(C)C(C3C(c4c(CC3)cc(cc4)OC)CC2)CC1)C#C
SPLASH splash10-004i-2941000000-8dccc0ee149af69cab91
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_2807