![Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methylpentanoate](/api/spectrum/HVRwL2Tpxit/structure.png?h=300&w=458 "Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methylpentanoate")
| SpectraBase Compound ID | BGCPUTBdUAQ |
|---|---|
| InChI | InChI=1S/C13H18F7NO3/c1-4-5-24-9(22)8(6-7(2)3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23) |
| InChIKey | JLUGJNZYNFFHAW-UHFFFAOYSA-N |
| Mol Weight | 369.28 g/mol |
| Molecular Formula | C13H18F7NO3 |
| Exact Mass | 369.117491 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | HVRwL2Tpxit |
|---|---|
| Name | Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-4-methylpentanoate |
| CAS Registry Number | 70771-94-7 |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H18F7NO3 |
| InChI | InChI=1S/C13H18F7NO3/c1-4-5-24-9(22)8(6-7(2)3)21-10(23)11(14,15)12(16,17)13(18,19)20/h7-8H,4-6H2,1-3H3,(H,21,23) |
| InChIKey | JLUGJNZYNFFHAW-UHFFFAOYSA-N |
| Molecular Weight | 369.280 g/mol |
| SMILES | N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(C(OCCC)=O)CC(C)C |
| SPLASH | splash10-00kf-9040000000-261d9b355ae60fd916b2 |
| Source of Spectrum | W5-1989-6805-1 |
| Synonyms | 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-methyl-valeric acid propyl ester 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-4-methylpentanoic acid propyl ester N-(Heptafluorobutyryl)leucine propyl ester Propyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-methyl-pentanoate Propyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-4-methyl-pentanoate Propyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-4-methylpentanoate |
| Wiley ID | 1353509 |