| SpectraBase Compound ID | rfkmwB5snB |
|---|---|
| InChI | InChI=1S/C17H21IO2/c18-15-11-6-4-2-1-3-5-10-14-17(19)20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10,14H2 |
| InChIKey | YXYXRFVXKCHITA-UHFFFAOYSA-N |
| Mol Weight | 384.26 g/mol |
| Molecular Formula | C17H21IO2 |
| Exact Mass | 384.058625 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 | 9kf8bbhM5SB |
|---|---|
| Name | Phenyl 11-iodoundec-10-ynoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 384.058624914 u |
| Formula | C17H21IO2 |
| InChI | InChI=1S/C17H21IO2/c18-15-11-6-4-2-1-3-5-10-14-17(19)20-16-12-8-7-9-13-16/h7-9,12-13H,1-6,10,14H2 |
| InChIKey | YXYXRFVXKCHITA-UHFFFAOYSA-N |
| Molecular Weight | 384.257 g/mol |
| SMILES | C(I)#CCCCCCCCCC(=O)OC1=CC=CC=C1 |