| SpectraBase Spectrum ID |
1k9AXmYzXsK |
| Name |
2-Ethylhexyl 3-Methyl-4,7-dioxo-4,7-dihydrobenzo[b]thiophene-2-carboxylate |
| Alternate Name(s) |
2-ethylhexyl 3-methyl-4,7-dioxo-4,7-dihydro-1-benzothiophene-2-carboxylate |
| Comments |
Less than 3 mono-isotopic peaks |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C18H22O4S |
| InChI |
InChI=1S/C18H22O4S/c1-4-6-7-12(5-2)10-22-18(21)16-11(3)15-13(19)8-9-14(20)17(15)23-16/h8-9,12H,4-7,10H2,1-3H3 |
| InChIKey |
JLIURYZTYJMPIA-UHFFFAOYSA-N |
| Molecular Weight |
334.430 g/mol |
| SMILES |
c12c(c(c(s2)C(=O)OCC(CCCC)CC)C)C(C=CC1=O)=O |
| SPLASH |
splash10-00di-9000000000-71b94cf9491f9f26e603 |
| Source of Spectrum |
H1-55-2427-4 |
| Wiley ID |
1564736 |
![2-Ethylhexyl 3-Methyl-4,7-dioxo-4,7-dihydrobenzo[b]thiophene-2-carboxylate](/api/spectrum/1k9AXmYzXsK/structure.png?h=300&w=458 "2-Ethylhexyl 3-Methyl-4,7-dioxo-4,7-dihydrobenzo[b]thiophene-2-carboxylate")
