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Pimaric Acid, TMS Derivative
SpectraBase Compound ID 2xMmpuHYlnh
InChI InChI=1S/C23H38O2Si/c1-8-21(2)15-12-18-17(16-21)10-11-19-22(18,3)13-9-14-23(19,4)20(24)25-26(5,6)7/h8,16,18-19H,1,9-15H2,2-7H3/t18-,19+,21+,22+,23+/m0/s1
InChIKey FYQMSVLENZHTHD-PBLZTVTNSA-N
Mol Weight 374.6 g/mol
Molecular Formula C23H38O2Si
Exact Mass 374.264107 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DmK2fnVdk1o
Name Pimaricacid TMS
CAS Registry Number 21414-46-0
Classification Chemical
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 374.264106997 u
Formula C23H38O2Si
InChI InChI=1S/C23H38O2Si/c1-8-21(2)15-12-18-17(16-21)10-11-19-22(18,3)13-9-14-23(19,4)20(24)25-26(5,6)7/h8,16,18-19H,1,9-15H2,2-7H3/t18-,19+,21+,22+,23+/m0/s1
InChIKey FYQMSVLENZHTHD-PBLZTVTNSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 374.640 g/mol
Nominal Mass 374 u
Quality 989
Retention Index 2726
SMILES [C@@]12([C@@]([C@@]3(C(=C[C@@](CC3)(C=C)C)CC1)[H])(CCC[C@]2(C(O[Si](C)(C)C)=O)C)C)[H]
SPLASH splash10-00di-6910000000-9229e43c0083f8459ed7
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms trimethylsilyl (1R,4aR,4bS,7S,10aR)-7-ethenyl-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,9,10,10a-\rdodecahydrophenanthrene-1-carboxylate
Technique GC/MS
Wiley ID DD2024_033057