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Isopentyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-methylpentanoate
SpectraBase Compound ID 5ItV7Otp73u
InChI InChI=1S/C15H22F7NO3/c1-5-9(4)10(11(24)26-7-6-8(2)3)23-12(25)13(16,17)14(18,19)15(20,21)22/h8-10H,5-7H2,1-4H3,(H,23,25)
InChIKey RIXPVXDZCWHBQF-UHFFFAOYSA-N
Mol Weight 397.33 g/mol
Molecular Formula C15H22F7NO3
Exact Mass 397.148791 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3S8yS7qtSbE
Name Isopentyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-methylpentanoate
CAS Registry Number 75743-42-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H22F7NO3
InChI InChI=1S/C15H22F7NO3/c1-5-9(4)10(11(24)26-7-6-8(2)3)23-12(25)13(16,17)14(18,19)15(20,21)22/h8-10H,5-7H2,1-4H3,(H,23,25)
InChIKey RIXPVXDZCWHBQF-UHFFFAOYSA-N
Molecular Weight 397.334 g/mol
SMILES N(C(C(CC)C)C(OCCC(C)C)=O)C(C(F)(F)C(F)(F)C(F)(F)F)=O
SPLASH splash10-00sl-9040000000-47f3d141ebf882fe1c75
Source of Spectrum NP-14-3858-0
Synonyms 3-Methylbutyl N-(heptafluorobutyryl)isoleucinate 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-methylpentanoic acid 3-methylbutyl ester 3-Methylbutyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-methylpentanoate isopentyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-methyl-pentanoate 3-Methylbutyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-3-methyl-pentanoate
Wiley ID 1111726