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Estradiol benzoate, mono-TMS
SpectraBase Compound ID 6lXhP4LYMkX
InChI InChI=1S/C28H36O3Si/c1-28-17-16-23-22-13-11-21(30-27(29)19-8-6-5-7-9-19)18-20(22)10-12-24(23)25(28)14-15-26(28)31-32(2,3)4/h5-9,11,13,18,23-26H,10,12,14-17H2,1-4H3
InChIKey FSFIANRWUMKEGL-UHFFFAOYSA-N
Mol Weight 448.7 g/mol
Molecular Formula C28H36O3Si
Exact Mass 448.243372 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JbgL8uZqCnk
Name Estradiol benzoate, mono-TMS
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 448.243371551 u
Formula C28H36O3Si
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C28H36O3Si/c1-28-17-16-23-22-13-11-21(30-27(29)19-8-6-5-7-9-19)18-20(22)10-12-24(23)25(28)14-15-26(28)31-32(2,3)4/h5-9,11,13,18,23-26H,10,12,14-17H2,1-4H3
InChIKey FSFIANRWUMKEGL-UHFFFAOYSA-N
Molecular Weight 448.678 g/mol
Nominal Mass 448 u
Number of Peaks 407
SMILES c1c(cccc1)C(Oc1ccc2C3CCC4(C(O[Si](C)(C)C)CCC4C3CCc2c1)C)=O
SPLASH splash10-0a4i-2911000000-b23cfa597c1febd24158
Source Cayman Chemical
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001826