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4-(1H-Indol-3-yl)-2-butanone, tms derivative
SpectraBase Compound ID DIdQNNI5l9g
InChI InChI=1S/C15H21NOSi/c1-12(17)9-10-13-11-16(18(2,3)4)15-8-6-5-7-14(13)15/h5-8,11H,9-10H2,1-4H3
InChIKey IYBPLOLTZSDIJP-UHFFFAOYSA-N
Mol Weight 259.42 g/mol
Molecular Formula C15H21NOSi
Exact Mass 259.139241 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DW2LsHkHTQP
Name 4-(1H-Indol-3-yl)-2-butanone, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 259.139240834 u
Formula C15H21NOSi
InChI InChI=1S/C15H21NOSi/c1-12(17)9-10-13-11-16(18(2,3)4)15-8-6-5-7-14(13)15/h5-8,11H,9-10H2,1-4H3
InChIKey IYBPLOLTZSDIJP-UHFFFAOYSA-N
Molecular Weight 259.424 g/mol
SMILES CC(CCC1=CN(C2=C1C=CC=C2)[Si](C)(C)C)=O