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11-Iodoundecanoic acid, t-butyl ester
SpectraBase Compound ID 3S8IPZgWTFM
InChI InChI=1S/C15H29IO2/c1-15(2,3)18-14(17)12-10-8-6-4-5-7-9-11-13-16/h4-13H2,1-3H3
InChIKey ZMRVNBCQAGHPHU-UHFFFAOYSA-N
Mol Weight 368.3 g/mol
Molecular Formula C15H29IO2
Exact Mass 368.121225 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1ETLZwcN2pj
Name 11-Iodoundecanoic acid, T-butyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 368.121225172 u
Formula C15H29IO2
InChI InChI=1S/C15H29IO2/c1-15(2,3)18-14(17)12-10-8-6-4-5-7-9-11-13-16/h4-13H2,1-3H3
InChIKey ZMRVNBCQAGHPHU-UHFFFAOYSA-N
Molecular Weight 368.299 g/mol
SMILES CC(C)(OC(CCCCCCCCCCI)=O)C