| SpectraBase Spectrum ID |
GVaYRqBkVoB |
| Name |
4-(trans-2-Iodocyclohextyl)-8-methoxy-[1]benzopyran-2-one |
| Alternate Name(s) |
3-Hydroxy-4-(trans-2-Iodocyclohexyl)-8-methoxy-[1]benzopyran-2-one
3-hydroxy-4-[(1R,2S)-2-iodocyclohexyl]-8-methoxy-2H-chromen-2-one |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C16H17IO4 |
| InChI |
InChI=1S/C16H17IO4/c1-20-12-8-4-6-10-13(9-5-2-3-7-11(9)17)14(18)16(19)21-15(10)12/h4,6,8-9,11,18H,2-3,5,7H2,1H3/t9-,11-/m0/s1 |
| InChIKey |
JTIJANWTCAKJFT-ONGXEEELSA-N |
| Molecular Weight |
400.212 g/mol |
| SMILES |
OC=1C(Oc2c(C1[C@@]1([C@@](I)(CCCC1)[H])[H])cccc2OC)=O |
| SPLASH |
splash10-00di-0090000000-9af634ed14b987e4f93f |
| Source of Spectrum |
KC-0-2841-35 |
| Wiley ID |
780267 |
![4-(trans-2-Iodocyclohextyl)-8-methoxy-[1]benzopyran-2-one](/api/spectrum/GVaYRqBkVoB/structure.png?h=300&w=458 "4-(trans-2-Iodocyclohextyl)-8-methoxy-[1]benzopyran-2-one")
