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Pregn-4-en-20-yn-3-one, 17-hydroxy-, (17.alpha.)-
SpectraBase Compound ID DLzYY55ChiR
InChI InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3
InChIKey CHNXZKVNWQUJIB-UHFFFAOYSA-N
Mol Weight 312.45 g/mol
Molecular Formula C21H28O2
Exact Mass 312.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5d8GRgNBVlD
Name Norgestrel
CAS Registry Number 6533-00-2
Classification Gestagen
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 312.208930140 u
Formula C21H28O2
InChI InChI=1S/C21H28O2/c1-4-21(23)12-9-18-16-6-5-14-13-15(22)7-10-19(14,2)17(16)8-11-20(18,21)3/h1,13,16-18,23H,5-12H2,2-3H3
InChIKey CHNXZKVNWQUJIB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 312.453 g/mol
SMILES C12(C(=CC(=O)CC2)CCC2C3C(C(C#C)(O)CC3)(C)CCC12)C
SPLASH splash10-06vl-6940000000-b27ab626e44756dd3f34
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_4631