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Diethylstilbestrol
SpectraBase Compound ID 1uRR1LS8Uo5
InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKey RGLYKWWBQGJZGM-ISLYRVAYSA-N
Mol Weight 268.36 g/mol
Molecular Formula C18H20O2
Exact Mass 268.14633 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CKbYthD0ilB
Name Diethylstilbestrol
CAS Registry Number 56-53-1
Classification Estrogen
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Exact Mass 268.146329882 u
Formula C18H20O2
InChI InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3/b18-17+
InChIKey RGLYKWWBQGJZGM-ISLYRVAYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 268.356 g/mol
SMILES c1cc(\C(CC)=C\(c2ccc(cc2)O)CC)ccc1O
SPLASH splash10-066r-5960000000-4591936d3c412bc3cf19
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_1419