| SpectraBase Spectrum ID |
6box7GIR69W |
| Name |
4-Iodo-8-(7-methoxybenzo[1,3]dioxol-5-yl)-6-oxabicyclo[3.2.1]octan-7-one |
| Alternate Name(s) |
4-iodo-8-(7-methoxy-1,3-benzodioxol-5-yl)-6-oxabicyclo[3.2.1]octan-7-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C15H15IO5 |
| InChI |
InChI=1S/C15H15IO5/c1-18-10-4-7(5-11-14(10)20-6-19-11)12-8-2-3-9(16)13(12)21-15(8)17/h4-5,8-9,12-13H,2-3,6H2,1H3/t8-,9?,12+,13+/m1/s1 |
| InChIKey |
AUYYEACJMNVGNK-PRWUBACZSA-N |
| Molecular Weight |
402.184 g/mol |
| SMILES |
[C@]12(CCC([C@](OC2=O)([C@]1(c1cc2OCOc2c(c1)OC)[H])[H])I)[H] |
| SPLASH |
splash10-0udi-0100900000-bfaa7562a9df8def75ee |
| Source of Spectrum |
F-69-118-25 |
| Wiley ID |
1594448 |
![4-Iodo-8-(7-methoxybenzo[1,3]dioxol-5-yl)-6-oxabicyclo[3.2.1]octan-7-one](/api/spectrum/6box7GIR69W/structure.png?h=300&w=458 "4-Iodo-8-(7-methoxybenzo[1,3]dioxol-5-yl)-6-oxabicyclo[3.2.1]octan-7-one")
