| SpectraBase Compound ID | 2dVCTVVvXYE |
|---|---|
| InChI | InChI=1S/C22H35IO2/c1-25-22(24)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-18-21(23)19-17-20/h16-19H,2-15H2,1H3 |
| InChIKey | BNGBPDHBXPNKEU-UHFFFAOYSA-N |
| Mol Weight | 458.4 g/mol |
| Molecular Formula | C22H35IO2 |
| Exact Mass | 458.168175 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 | 8q3advtQJ2A |
|---|---|
| Name | Methyl (4-iodophenyl)pentadecanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 458.168175365 u |
| Formula | C22H35IO2 |
| InChI | InChI=1S/C22H35IO2/c1-25-22(24)15-13-11-9-7-5-3-2-4-6-8-10-12-14-20-16-18-21(23)19-17-20/h16-19H,2-15H2,1H3 |
| InChIKey | BNGBPDHBXPNKEU-UHFFFAOYSA-N |
| Molecular Weight | 458.424 g/mol |
| SMILES | C1=CC(=CC=C1I)CCCCCCCCCCCCCCC(OC)=O |