| SpectraBase Compound ID | BNNcFlmOYrc |
|---|---|
| InChI | InChI=1S/C19H9F14NO5/c1-38-11(35)4-7-6-34(12(36)14(20,21)16(24,25)18(28,29)30)10-3-2-8(5-9(7)10)39-13(37)15(22,23)17(26,27)19(31,32)33/h2-3,5-6H,4H2,1H3 |
| InChIKey | ISMCVTZZOPFBII-UHFFFAOYSA-N |
| Mol Weight | 597.26 g/mol |
| Molecular Formula | C19H9F14NO5 |
| Exact Mass | 597.025717 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 2gYAnoGAdD5 |
|---|---|
| Name | 1H-Indole-3-acetic acid, 5-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)-, methyl ester |
| CAS Registry Number | 55712-65-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C19H9F14NO5 |
| InChI | InChI=1S/C19H9F14NO5/c1-38-11(35)4-7-6-34(12(36)14(20,21)16(24,25)18(28,29)30)10-3-2-8(5-9(7)10)39-13(37)15(22,23)17(26,27)19(31,32)33/h2-3,5-6H,4H2,1H3 |
| InChIKey | ISMCVTZZOPFBII-UHFFFAOYSA-N |
| Molecular Weight | 597.261 g/mol |
| SMILES | COC(Cc1c[n](c2ccc(cc12)OC(C(C(C(F)(F)F)(F)F)(F)F)=O)C(C(C(C(F)(F)F)(F)F)(F)F)=O)=O |
| SPLASH | splash10-000j-1302090000-2222cd5e2b7c5a4baf20 |
| Source of Spectrum | E-44-1435-1 |
| Synonyms | 1-(2,2,3,3,4,4,4-Heptafluorobutanoyl)-3-(2-methoxy-2-oxoethyl)-1H-indol-5-yl 2,2,3,3,4,4,4-heptafluorobutanoate 2,2,3,3,4,4,4-heptafluorobutanoic acid [1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-3-(2-methoxy-2-oxoethyl)-5-indolyl] ester [1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-3-(2-methoxy-2-oxoethyl)indol-5-yl] 2,2,3,3,4,4,4-heptafluorobutanoate [1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-3-(2-methoxy-2-oxo-ethyl)indol-5-yl] 2,2,3,3,4,4,4-heptafluorobutanoate [1-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyl]-3-(2-methoxy-2-oxidanylidene-ethyl)indol-5-yl] 2,2,3,3,4,4,4-heptakis(fluoranyl)butanoate |
| Wiley ID | 1409877 |