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Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-phenylpropanoate
SpectraBase Compound ID DPwy453NA2Q
InChI InChI=1S/C16H16F7NO3/c1-2-8-27-12(25)11(9-10-6-4-3-5-7-10)24-13(26)14(17,18)15(19,20)16(21,22)23/h3-7,11H,2,8-9H2,1H3,(H,24,26)
InChIKey BENJCXJHHRAYLJ-UHFFFAOYSA-N
Mol Weight 403.3 g/mol
Molecular Formula C16H16F7NO3
Exact Mass 403.101841 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 38uL9ZsedO5
Name Propyl 2-[(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]-3-phenylpropanoate
CAS Registry Number 70771-96-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H16F7NO3
InChI InChI=1S/C16H16F7NO3/c1-2-8-27-12(25)11(9-10-6-4-3-5-7-10)24-13(26)14(17,18)15(19,20)16(21,22)23/h3-7,11H,2,8-9H2,1H3,(H,24,26)
InChIKey BENJCXJHHRAYLJ-UHFFFAOYSA-N
Molecular Weight 403.297 g/mol
SMILES N(C(Cc1ccccc1)C(=O)OCCC)C(C(C(C(F)(F)F)(F)F)(F)F)=O
SPLASH splash10-0006-7900000000-52f4b8f8df04cf083488
Source of Spectrum O-30-478-0
Synonyms 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenyl-propionic acid propyl ester 2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-3-phenylpropanoic acid propyl ester Phenylalanine, N-(heptafluorobutyryl)-, propyl ester Propyl 2-[2,2,3,3,4,4,4-heptakis(fluoranyl)butanoylamino]-3-phenyl-propanoate Propyl 2-(2,2,3,3,4,4,4-heptafluorobutanoylamino)-3-phenylpropanoate
Wiley ID 1370780