| SpectraBase Spectrum ID |
Dsw68IOf68L |
| Name |
3-(6-Iodo-1,3-benzodioxol-5-yl)propyl 4-nitrobenzenesulfonate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
490.953567962 u |
| Formula |
C16H14INO7S |
| InChI |
InChI=1S/C16H14INO7S/c17-14-9-16-15(23-10-24-16)8-11(14)2-1-7-25-26(21,22)13-5-3-12(4-6-13)18(19)20/h3-6,8-9H,1-2,7,10H2 |
| InChIKey |
BDSCGVVIFYAUGW-UHFFFAOYSA-N |
| Molecular Weight |
491.252 g/mol |
| SMILES |
C=1(S(=O)(=O)OCCCC2=C(C=C3C(=C2)OCO3)I)C=CC(N(=O)=O)=CC1 |
