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 |
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 |