| SpectraBase Compound ID | 94LRQHchqv2 |
|---|---|
| InChI | InChI=1S/C19H27IO/c1-17(16-20)12-8-5-3-2-4-6-11-15-19(21)18-13-9-7-10-14-18/h7,9-10,13-14,16H,2-6,8,11-12,15H2,1H3/b17-16+ |
| InChIKey | QIMKEDUKXCFMGP-WUKNDPDISA-N |
| Mol Weight | 398.33 g/mol |
| Molecular Formula | C19H27IO |
| Exact Mass | 398.11066 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KvgIWKiYely |
|---|---|
| Name | (E)-12-Iodo-11-methyl-1-phenyldodec-11-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 398.110660488 u |
| Formula | C19H27IO |
| InChI | InChI=1S/C19H27IO/c1-17(16-20)12-8-5-3-2-4-6-11-15-19(21)18-13-9-7-10-14-18/h7,9-10,13-14,16H,2-6,8,11-12,15H2,1H3/b17-16+ |
| InChIKey | QIMKEDUKXCFMGP-WUKNDPDISA-N |
| Molecular Weight | 398.328 g/mol |
| SMILES | C\C(=C/I)CCCCCCCCCC(C1=CC=CC=C1)=O |