| SpectraBase Compound ID | FM45u3AeAkt |
|---|---|
| InChI | InChI=1S/C13H22INO5/c1-2-4-17-6-8-19-10-11-20-9-7-18-5-3-15-13(16)12-14/h1H,3-12H2,(H,15,16) |
| InChIKey | FQGZQIWVBRWEOR-UHFFFAOYSA-N |
| Mol Weight | 399.23 g/mol |
| Molecular Formula | C13H22INO5 |
| Exact Mass | 399.054268 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 9f3N76Klo3d |
|---|---|
| Name | N-Iodoacetyl-3,6,9,12-tetraoxapentadec-14-yn-1-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 399.054267807 u |
| Formula | C13H22INO5 |
| InChI | InChI=1S/C13H22INO5/c1-2-4-17-6-8-19-10-11-20-9-7-18-5-3-15-13(16)12-14/h1H,3-12H2,(H,15,16) |
| InChIKey | FQGZQIWVBRWEOR-UHFFFAOYSA-N |
| Molecular Weight | 399.225 g/mol |
| SMILES | C(I)C(=O)NCCOCCOCCOCCOCC#C |