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Norgestrel AC
SpectraBase Compound ID HCNxzJduxNC
InChI InChI=1S/C23H30O3/c1-5-23(26-15(2)24)13-10-20-18-7-6-16-14-17(25)8-11-21(16,3)19(18)9-12-22(20,23)4/h1,14,18-20H,6-13H2,2-4H3
InChIKey AIBWHDYZKNWYQQ-UHFFFAOYSA-N
Mol Weight 354.49 g/mol
Molecular Formula C23H30O3
Exact Mass 354.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ZVJwaGz0Ea
Name Norgestrel AC
Classification Gestagen
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Exact Mass 354.219494823 u
Formula C23H30O3
InChI InChI=1S/C23H30O3/c1-5-23(26-15(2)24)13-10-20-18-7-6-16-14-17(25)8-11-21(16,3)19(18)9-12-22(20,23)4/h1,14,18-20H,6-13H2,2-4H3
InChIKey AIBWHDYZKNWYQQ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 354.490 g/mol
Related CAS Registry Number(s) 6533-00-2
SMILES C12(C(=CC(CC2)=O)CCC2C3CCC(C3(CCC12)C)(C#C)OC(=O)C)C
SPLASH splash10-056u-9821000000-d01f9e4605f96b9710e3
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_5234