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Tert-butyldimethylsilyl 8-chlorooctyl phthalate

View entire compound with spectra: 1 NMR

Tert-butyldimethylsilyl 8-chlorooctyl phthalate
SpectraBase Compound ID TdeSLJ8DBx
InChI InChI=1S/C22H35ClO4Si/c1-22(2,3)28(4,5)27-21(25)19-15-11-10-14-18(19)20(24)26-17-13-9-7-6-8-12-16-23/h10-11,14-15H,6-9,12-13,16-17H2,1-5H3
InChIKey VPMKCWDDCUSVRG-UHFFFAOYSA-N
Mol Weight 427.1 g/mol
Molecular Formula C22H35ClO4Si
Exact Mass 426.199314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8qmC79ySGsE
Name Tert-butyldimethylsilyl 8-chlorooctyl phthalate
Comments Computed using HOSE algorithm
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Exact Mass 426.199313838 u
Formula C22H35ClO4Si
InChI InChI=1S/C22H35ClO4Si/c1-22(2,3)28(4,5)27-21(25)19-15-11-10-14-18(19)20(24)26-17-13-9-7-6-8-12-16-23/h10-11,14-15H,6-9,12-13,16-17H2,1-5H3
InChIKey VPMKCWDDCUSVRG-UHFFFAOYSA-N
Molecular Weight 427.056 g/mol
SMILES C1=CC=C(C(=C1)C(=O)OCCCCCCCCCl)C(=O)O[Si](C)(C(C)(C)C)C