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trans-13-Octadecenoic acid TMS
SpectraBase Compound ID 42DIPZ13cJV
InChI InChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h8-9H,5-7,10-20H2,1-4H3/b9-8+
InChIKey RNVCFFQAHYGLBB-CMDGGOBGSA-N
Mol Weight 354.7 g/mol
Molecular Formula C21H42O2Si
Exact Mass 354.295407 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BdFv3YV75ZV
Name 13-Octadecenoic acid, (E)-, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 354.295407125 u
Formula C21H42O2Si
InChI InChI=1S/C21H42O2Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-24(2,3)4/h8-9H,5-7,10-20H2,1-4H3/b9-8+
InChIKey RNVCFFQAHYGLBB-CMDGGOBGSA-N
Molecular Weight 354.650 g/mol
SMILES C(=O)(O[Si](C)(C)C)CCCCCCCCCCC\C=C\CCCC