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Benzoic acid, 2,4-dihydroxy-6-(8Z)-8-pentadecen-1-yl-, 3-o-tms
SpectraBase Compound ID KPHMeI1IVty
InChI InChI=1S/C31H58O4Si3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25-28(33-36(2,3)4)26-29(34-37(5,6)7)30(27)31(32)35-38(8,9)10/h16-17,25-26H,11-15,18-24H2,1-10H3/b17-16-
InChIKey ZQRGXWJOFCZMIZ-MSUUIHNZSA-N
Mol Weight 579.1 g/mol
Molecular Formula C31H58O4Si3
Exact Mass 578.36429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1nuX1L9gN8x
Name Benzoic acid, 2,4-dihydroxy-6-(8Z)-8-pentadecen-1-yl-, 3-o-tms
Comments Computed using HOSE algorithm
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Exact Mass 578.364289949 u
Formula C31H58O4Si3
InChI InChI=1S/C31H58O4Si3/c1-11-12-13-14-15-16-17-18-19-20-21-22-23-24-27-25-28(33-36(2,3)4)26-29(34-37(5,6)7)30(27)31(32)35-38(8,9)10/h16-17,25-26H,11-15,18-24H2,1-10H3/b17-16-
InChIKey ZQRGXWJOFCZMIZ-MSUUIHNZSA-N
Molecular Weight 579.056 g/mol
SMILES C(C1=C(C=C(C=C1O[Si](C)(C)C)O[Si](C)(C)C)CCCCCCC\C=C/CCCCCC)(=O)O[Si](C)(C)C