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.alpha.-Zeranol, O',O''-dimethyl
SpectraBase Compound ID AgFoqE4mRTC
InChI InChI=1S/C20H30O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h12-14,16,21H,4-11H2,1-3H3/t14-,16+/m0/s1
InChIKey XGZFGCRWBLVDFU-GOEBONIOSA-N
Mol Weight 350.46 g/mol
Molecular Formula C20H30O5
Exact Mass 350.209324 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CpVGPcKkK3m
Name .alpha.-Zeranol, O',O''-dimethyl
Copyright Copyright © 2011-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 350.209324061 u
Formula C20H30O5
InChI InChI=1S/C20H30O5/c1-14-8-7-11-16(21)10-6-4-5-9-15-12-17(23-2)13-18(24-3)19(15)20(22)25-14/h12-14,16,21H,4-11H2,1-3H3/t14-,16+/m0/s1
InChIKey XGZFGCRWBLVDFU-GOEBONIOSA-N
Molecular Weight 350.455 g/mol
Nominal Mass 350 u
Number of Peaks 44
SMILES O[C@@]1(CCCCCc2cc(OC)cc(OC)c2C(=O)O[C@](CCC1)(C)[H])[H]
SPLASH splash10-0udl-2952000000-850d6d3b2535d26840df
Source File Reference DSHS_50_0706
Source of Spectrum Dr. M.K.Parr, Dr. G.Opfermann, Prof. W.Schaenzer, DSHS Cologne, Germany
Synonyms .alpha.-Zearalanol, O',O''-dimethyl
Wiley ID 50_706