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Chlormadinone AC
SpectraBase Compound ID IDcKq8aX9w0
InChI InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3
InChIKey QMBJSIBWORFWQT-UHFFFAOYSA-N
Mol Weight 404.93 g/mol
Molecular Formula C23H29ClO4
Exact Mass 404.175437 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7B0U5z1W4DA
Name Chlormadinone AC
CAS Registry Number 302-22-7
Classification Gestagen
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Exact Mass 404.175437110 u
Formula C23H29ClO4
InChI InChI=1S/C23H29ClO4/c1-13(25)23(28-14(2)26)10-7-18-16-12-20(24)19-11-15(27)5-8-21(19,3)17(16)6-9-22(18,23)4/h11-12,16-18H,5-10H2,1-4H3
InChIKey QMBJSIBWORFWQT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 404.934 g/mol
SMILES C=1C(=O)CCC2(C)C3CCC4(C)C(C(C)=O)(CCC4C3C=C(Cl)C12)OC(=O)C
SPLASH splash10-0udi-1339000000-974418d534928473c179
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_2477