| SpectraBase Spectrum ID |
K7ueEHod3LR |
| Name |
3-[5-(2-butyl-2-methyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-furan-2-yl]-4-methyl-benzoic acid |
| Alternate Name(s) |
3-{5-[(2-butyl-2-methyl-4,6-dioxo-1,3-dioxan-5-ylidene)methyl]-2-furyl}-4-methylbenzoic acid |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C22H22O7 |
| InChI |
InChI=1S/C22H22O7/c1-4-5-10-22(3)28-20(25)17(21(26)29-22)12-15-8-9-18(27-15)16-11-14(19(23)24)7-6-13(16)2/h6-9,11-12H,4-5,10H2,1-3H3,(H,23,24)/b17-12- |
| InChIKey |
UNPHRBXNIYLJTI-ATVHPVEESA-N |
| Molecular Weight |
398.411 g/mol |
| SMILES |
OC(c1cc(-c2oc(C=C3C(OC(OC3=O)(CCCC)C)=O)cc2)c(cc1)C)=O |
| SPLASH |
splash10-0f6x-9840000000-54878d4f424c21aba3e5 |
| Wiley ID |
1442614 |
![3-[5-(2-butyl-2-methyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-furan-2-yl]-4-methyl-benzoic acid](/api/spectrum/K7ueEHod3LR/structure.png?h=300&w=458 "3-[5-(2-butyl-2-methyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-furan-2-yl]-4-methyl-benzoic acid")
