| SpectraBase Spectrum ID |
FNYH6HxThfc |
| Name |
3-Iodo-4-methoxybenzyl alcohol, tert.-butyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
320.027324785 u |
| Formula |
C12H17IO2 |
| InChI |
InChI=1S/C12H17IO2/c1-12(2,3)15-8-9-5-6-11(14-4)10(13)7-9/h5-7H,8H2,1-4H3 |
| InChIKey |
PNAPTIDKDBGYMS-UHFFFAOYSA-N |
| Molecular Weight |
320.170 g/mol |
| SMILES |
C1(=CC=C(C(=C1)I)OC)COC(C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.925263 |
