![Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-[1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1H-indol-3-yl]propanoate](/api/spectrum/BtPb7GQtb1B/structure.png?h=300&w=458 "Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-[1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1H-indol-3-yl]propanoate")
| SpectraBase Compound ID | La1R5glIJwe |
|---|---|
| InChI | InChI=1S/C22H16F14N2O4/c1-2-7-42-14(39)12(37-15(40)17(23,24)19(27,28)21(31,32)33)8-10-9-38(13-6-4-3-5-11(10)13)16(41)18(25,26)20(29,30)22(34,35)36/h3-6,9,12H,2,7-8H2,1H3,(H,37,40) |
| InChIKey | FSGIIKRXGBDENP-UHFFFAOYSA-N |
| Mol Weight | 638.36 g/mol |
| Molecular Formula | C22H16F14N2O4 |
| Exact Mass | 638.088651 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | BtPb7GQtb1B |
|---|---|
| Name | Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-[1-(2,2,3,3,4,4,4-heptafluorobutanoyl)-1H-indol-3-yl]propanoate |
| CAS Registry Number | 75742-43-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C22H16F14N2O4 |
| InChI | InChI=1S/C22H16F14N2O4/c1-2-7-42-14(39)12(37-15(40)17(23,24)19(27,28)21(31,32)33)8-10-9-38(13-6-4-3-5-11(10)13)16(41)18(25,26)20(29,30)22(34,35)36/h3-6,9,12H,2,7-8H2,1H3,(H,37,40) |
| InChIKey | FSGIIKRXGBDENP-UHFFFAOYSA-N |
| Molecular Weight | 638.358 g/mol |
| SMILES | N(C(Cc1c[n](c2ccccc12)C(C(C(C(F)(F)F)(F)F)(F)F)=O)C(=O)OCCC)C(C(C(C(F)(F)F)(F)F)(F)F)=O |
| SPLASH | splash10-004i-2509100000-d1a18a36bb946f4b2443 |
| Source of Spectrum | W5-1989-6818-1 |
| Synonyms | 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-[1-(2,2,3,3,4,4,4-heptafluorobutanoyl)indol-3-yl]propionic acid propyl ester 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-[1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)-3-indolyl]propanoic acid propyl ester Bis(heptafluorobutyryl)tryptophan propyl ester Propyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-[1-(2,2,3,3,4,4,4-heptafluorobutanoyl)indol-3-yl]propanoate Propyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-3-[1-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoyl]indol-3-yl]propanoate |
| Wiley ID | 1412466 |