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2-(5-Hydroxypentyl)isoindole-1,3-dione, tms derivative
SpectraBase Compound ID ECMRb0pf9Wj
InChI InChI=1S/C16H23NO3Si/c1-21(2,3)20-12-8-4-7-11-17-15(18)13-9-5-6-10-14(13)16(17)19/h5-6,9-10H,4,7-8,11-12H2,1-3H3
InChIKey KWTWCGPBHUWWAB-UHFFFAOYSA-N
Mol Weight 305.45 g/mol
Molecular Formula C16H23NO3Si
Exact Mass 305.14472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7Lh53PhJDl9
Name 2-(5-Hydroxypentyl)isoindole-1,3-dione, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 305.144720137 u
Formula C16H23NO3Si
InChI InChI=1S/C16H23NO3Si/c1-21(2,3)20-12-8-4-7-11-17-15(18)13-9-5-6-10-14(13)16(17)19/h5-6,9-10H,4,7-8,11-12H2,1-3H3
InChIKey KWTWCGPBHUWWAB-UHFFFAOYSA-N
Molecular Weight 305.449 g/mol
SMILES C1(=O)C2=CC=CC=C2C(N1CCCCCO[Si](C)(C)C)=O