| SpectraBase Spectrum ID |
Kn1svLsbWno |
| Name |
1'-Oxohept-2'-yl 2-Methyl-6-{2',2'-dimethyl-5'-(2"-iodovinyl)-1',3'-(4H)-benzo[d]dioxin-6'-oxy}benzoate |
| Alternate Name(s) |
2-[[5-[(E)-2-iodoethenyl]-2,2-dimethyl-4H-1,3-benzodioxin-6-yl]oxy]-6-methylbenzoic acid [(2S)-1-oxoheptan-2-yl] ester
[(2S)-1-oxoheptan-2-yl] 2-[[5-[(E)-2-iodoethenyl]-2,2-dimethyl-4H-1,3-benzodioxin-6-yl]oxy]-6-methylbenzoate
[(1S)-1-formylhexyl] 2-[[5-[(E)-2-iodovinyl]-2,2-dimethyl-4H-1,3-benzodioxin-6-yl]oxy]-6-methyl-benzoate
[(2S)-1-oxidanylideneheptan-2-yl] 2-[[5-[(E)-2-iodanylethenyl]-2,2-dimethyl-4H-1,3-benzodioxin-6-yl]oxy]-6-methyl-benzoate |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C27H31IO6 |
| InChI |
InChI=1S/C27H31IO6/c1-5-6-7-10-19(16-29)32-26(30)25-18(2)9-8-11-24(25)33-22-12-13-23-21(20(22)14-15-28)17-31-27(3,4)34-23/h8-9,11-16,19H,5-7,10,17H2,1-4H3/b15-14+/t19-/m0/s1 |
| InChIKey |
HGSSVSRMBCZQPR-IQGVVSCOSA-N |
| Molecular Weight |
578.443 g/mol |
| SMILES |
C(c1c(Oc2c(c3COC(Oc3cc2)(C)C)\C=C\I)cccc1C)(O[C@](C=O)(CCCCC)[H])=O |
| SPLASH |
splash10-014i-0290010000-832a70066bf744440e25 |
| Source of Spectrum |
QE-15-5965-43 |
| Wiley ID |
1692940 |
![1'-Oxohept-2'-yl 2-Methyl-6-{2',2'-dimethyl-5'-(2"-iodovinyl)-1',3'-(4H)-benzo[d]dioxin-6'-oxy}benzoate](/api/spectrum/Kn1svLsbWno/structure.png?h=300&w=458 "1'-Oxohept-2'-yl 2-Methyl-6-{2',2'-dimethyl-5'-(2\"-iodovinyl)-1',3'-(4H)-benzo[d]dioxin-6'-oxy}benzoate")
