| SpectraBase Spectrum ID |
FJ9OWvfliF8 |
| Name |
3-Iodo-4-methoxybenzyl alcohol, 3-methylbutyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
334.042974850 u |
| Formula |
C13H19IO2 |
| InChI |
InChI=1S/C13H19IO2/c1-10(2)6-7-16-9-11-4-5-13(15-3)12(14)8-11/h4-5,8,10H,6-7,9H2,1-3H3 |
| InChIKey |
RTHFCBHAVTXCLH-UHFFFAOYSA-N |
| Molecular Weight |
334.197 g/mol |
| SMILES |
C1(=CC=C(C(=C1)I)OC)COCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.901939 |
