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Rhaponticin, hexa-TMS
SpectraBase Compound ID ESOpNoCglni
InChI InChI=1S/C39H72O9Si6/c1-40-33-23-22-29(26-34(33)45-51(8,9)10)20-21-30-24-31(27-32(25-30)44-50(5,6)7)42-39-38(48-54(17,18)19)37(47-53(14,15)16)36(46-52(11,12)13)35(43-39)28-41-49(2,3)4/h20-27,35-39H,28H2,1-19H3/b21-20+
InChIKey BTYPSUFAIYUNBP-QZQOTICOSA-N
Mol Weight 853.5 g/mol
Molecular Formula C39H72O9Si6
Exact Mass 852.379193 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ey58lJzuMm8
Name Rhaponticin, hexa-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 852.379193099 u
Formula C39H72O9Si6
GC Column HP-5ms (30 m × 0.25 mm ID x 0.25 μm film thickness)
InChI InChI=1S/C39H72O9Si6/c1-40-33-23-22-29(26-34(33)45-51(8,9)10)20-21-30-24-31(27-32(25-30)44-50(5,6)7)42-39-38(48-54(17,18)19)37(47-53(14,15)16)36(46-52(11,12)13)35(43-39)28-41-49(2,3)4/h20-27,35-39H,28H2,1-19H3/b21-20+
InChIKey BTYPSUFAIYUNBP-QZQOTICOSA-N
Molecular Weight 853.506 g/mol
Nominal Mass 852 u
Number of Peaks 395
SMILES C1(OC(C(C(C1O[Si](C)(C)C)O[Si](C)(C)C)O[Si](C)(C)C)CO[Si](C)(C)C)Oc1cc(cc(c1)\C=C\c1ccc(c(c1)O[Si](C)(C)C)OC)O[Si](C)(C)C
SPLASH splash10-00di-5576900000-838ded70adb7920a6479
Source Roth
Source of Spectrum Biologically and Environmentally Important Organic Compounds: GCMS Library
Wiley ID VI001089