| SpectraBase Compound ID | ADTquYOXRNX |
|---|---|
| InChI | InChI=1S/C17H31IO/c1-15(14-18)12-10-8-6-5-7-9-11-13-16(19)17(2,3)4/h14H,5-13H2,1-4H3/b15-14+ |
| InChIKey | JOOQSGCYGAEASD-CCEZHUSRSA-N |
| Mol Weight | 378.34 g/mol |
| Molecular Formula | C17H31IO |
| Exact Mass | 378.141961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 43473jDPOfP |
|---|---|
| Name | (E)-14-Iodo-2,2,13-trimethyltetradec-13-en-3-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 378.141960617 u |
| Formula | C17H31IO |
| InChI | InChI=1S/C17H31IO/c1-15(14-18)12-10-8-6-5-7-9-11-13-16(19)17(2,3)4/h14H,5-13H2,1-4H3/b15-14+ |
| InChIKey | JOOQSGCYGAEASD-CCEZHUSRSA-N |
| Molecular Weight | 378.338 g/mol |
| SMILES | C\C(=C/I)CCCCCCCCCC(C(C)(C)C)=O |