| SpectraBase Compound ID | L6qrmySXZ7K |
|---|---|
| InChI | InChI=1S/C19H31IO/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15H,1-8,12-13,16-18H2 |
| InChIKey | XSXJKRQUQVUBNY-UHFFFAOYSA-N |
| Mol Weight | 402.36 g/mol |
| Molecular Formula | C19H31IO |
| Exact Mass | 402.141961 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GUGhKmBhwHF |
|---|---|
| Name | 12-Iodanyldodecoxymethylbenzene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 402.141960617 u |
| Formula | C19H31IO |
| InChI | InChI=1S/C19H31IO/c20-16-12-7-5-3-1-2-4-6-8-13-17-21-18-19-14-10-9-11-15-19/h9-11,14-15H,1-8,12-13,16-18H2 |
| InChIKey | XSXJKRQUQVUBNY-UHFFFAOYSA-N |
| Molecular Weight | 402.360 g/mol |
| SMILES | C(I)CCCCCCCCCCCOCC=1C=CC=CC1 |