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Exemestane MS2
SpectraBase Compound ID Aq7968vnFVb
InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3
InChIKey BFYIZQONLCFLEV-UHFFFAOYSA-N
Mol Weight 296.41 g/mol
Molecular Formula C20H24O2
Exact Mass 296.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 10OIDRPIgmw
Name Exemestane
CAS Registry Number 107868-30-4
Classification Aromatase inhibitor
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Exact Mass 296.177630011 u
Formula C20H24O2
InChI InChI=1S/C20H24O2/c1-12-10-14-15-4-5-18(22)20(15,3)9-7-16(14)19(2)8-6-13(21)11-17(12)19/h6,8,11,14-16H,1,4-5,7,9-10H2,2-3H3
InChIKey BFYIZQONLCFLEV-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 296.410 g/mol
SMILES C=1C(C=C2C(C3CCC4(C(C3CC2=C)CCC4=O)C)(C)C1)=O
SPLASH splash10-0002-2910000000-71ccc5771313282c40e4
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_7621