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Valerenic acid, tert.-butyldimethylsilyl ester

View entire compound with spectra: 1 NMR

Valerenic acid, tert.-butyldimethylsilyl ester
SpectraBase Compound ID E63gmTw38Cv
InChI InChI=1S/C21H36O2Si/c1-14-9-11-17(19-15(2)10-12-18(14)19)13-16(3)20(22)23-24(7,8)21(4,5)6/h13-14,17-18H,9-12H2,1-8H3/b16-13+
InChIKey WOGYNWFWCBZXEM-DTQAZKPQSA-N
Mol Weight 348.6 g/mol
Molecular Formula C21H36O2Si
Exact Mass 348.248457 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JAkqnbEhDRd
Name Valerenic acid, tert.-butyldimethylsilyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.248456932 u
Formula C21H36O2Si
InChI InChI=1S/C21H36O2Si/c1-14-9-11-17(19-15(2)10-12-18(14)19)13-16(3)20(22)23-24(7,8)21(4,5)6/h13-14,17-18H,9-12H2,1-8H3/b16-13+
InChIKey WOGYNWFWCBZXEM-DTQAZKPQSA-N
Molecular Weight 348.602 g/mol
SMILES C1CC(C2C(C1\C=C/(C)C(=O)O[Si](C)(C)C(C)(C)C)=C(C)CC2)C