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7-Isopropyl-1,1-dimethyl-5,6-bis((trimethylsilyl)oxy)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene\r-4a-carboxylic acid TMS
SpectraBase Compound ID ISA7XqjEU8z
InChI InChI=1S/C29H52O4Si3/c1-20(2)22-19-21-15-16-23-28(3,4)17-14-18-29(23,27(30)33-36(11,12)13)24(21)26(32-35(8,9)10)25(22)31-34(5,6)7/h19-20,23H,14-18H2,1-13H3
InChIKey BROKXAIENNUYTL-UHFFFAOYSA-N
Mol Weight 549.0 g/mol
Molecular Formula C29H52O4Si3
Exact Mass 548.31734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2lA9TXurg7k
Name 7-Isopropyl-1,1-dimethyl-5,6-bis((trimethylsilyl)oxy)-1,2,3,4,4a,9,10,10a-octahydrophenanthrene\r-4a-carboxylic acid TMS
Classification Chemical
Copyright Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 548.317339755 u
Formula C29H52O4Si3
InChI InChI=1S/C29H52O4Si3/c1-20(2)22-19-21-15-16-23-28(3,4)17-14-18-29(23,27(30)33-36(11,12)13)24(21)26(32-35(8,9)10)25(22)31-34(5,6)7/h19-20,23H,14-18H2,1-13H3
InChIKey BROKXAIENNUYTL-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 548.986 g/mol
Nominal Mass 548 u
Quality 889
Retention Index 3882
SMILES C12(C3=C(C(=C(C=C3CCC1C(CCC2)(C)C)C(C)C)O[Si](C)(C)C)O[Si](C)(C)C)C(O[Si](C)(C)C)=O
SPLASH splash10-00di-9345300000-dba003123b5b0e9f87d5
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl 1,1-dimethyl-7-(propan-2-yl)-5,6-bis((trimethylsilyl)oxy)-1,3,4,9,10,10a-\rhexahydrophenanthrene-4a(2H)-carboxylate
Technique GC/MS
Wiley ID DD2024_023467