| SpectraBase Spectrum ID |
L60xvPa2CD5 |
| Name |
2-Iodo-3-methoxybenzonitrile |
| Appearance |
White solid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
258.949408816 u |
| Formula |
C8H6INO |
| InChI |
InChI=1S/C8H6INO/c1-11-7-4-2-3-6(5-10)8(7)9/h2-4H,1H3 |
| InChIKey |
RHXZAKBIPOVXMX-UHFFFAOYSA-N |
| Instrument Name |
FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.202103700 |
| Molecular Weight |
259.046 g/mol |
| Quality |
125 |
| Reported Formula |
C8H6INO |
| SMILES |
C1=C(C#N)C(I)=C(C=C1)OC |
| SPLASH |
splash10-0a4i-0190000000-bd5406bc8b40f3b44881 |
| Source of Spectrum |
QE-28-SM63-4m (DOI: 10.1002/chem.202103700) |
| Wiley ID |
1898239 |
