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Acetylvalerenolic acid, tms

View entire compound with spectra: 1 NMR

Acetylvalerenolic acid, tms
SpectraBase Compound ID QqAVesTQ7Y
InChI InChI=1S/C20H32O4Si/c1-12-8-9-16(10-14(3)20(22)24-25(5,6)7)18-13(2)11-17(19(12)18)23-15(4)21/h10,12,16-17,19H,8-9,11H2,1-7H3/b14-10+/t12-,16+,17-,19+/m1/s1
InChIKey HCVWICXFOCMVQY-RNZWKIBPSA-N
Mol Weight 364.6 g/mol
Molecular Formula C20H32O4Si
Exact Mass 364.206986 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4eudSNbKzGE
Name Acetylvalerenolic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 364.206986041 u
Formula C20H32O4Si
InChI InChI=1S/C20H32O4Si/c1-12-8-9-16(10-14(3)20(22)24-25(5,6)7)18-13(2)11-17(19(12)18)23-15(4)21/h10,12,16-17,19H,8-9,11H2,1-7H3/b14-10+/t12-,16+,17-,19+/m1/s1
InChIKey HCVWICXFOCMVQY-RNZWKIBPSA-N
Molecular Weight 364.557 g/mol
SMILES [C@]12([H])C(=C(C)C[C@]2(OC(C)=O)[H])[C@@](CC[C@]1(C)[H])(\C=C/(C)C(O[Si](C)(C)C)=O)[H]