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N-Heptafluorobutyryl-N-phenylglycine, ethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

N-Heptafluorobutyryl-N-phenylglycine, ethyl ester
SpectraBase Compound ID JQPxkNadQUB
InChI InChI=1S/C14H12F7NO3/c1-2-25-10(23)8-22(9-6-4-3-5-7-9)11(24)12(15,16)13(17,18)14(19,20)21/h3-7H,2,8H2,1H3
InChIKey HSRHRNVRJPMBHI-UHFFFAOYSA-N
Mol Weight 375.24 g/mol
Molecular Formula C14H12F7NO3
Exact Mass 375.07054 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IPL0QZbxgsk
Name N-Heptafluorobutyryl-N-phenylglycine, ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.070540388 u
Formula C14H12F7NO3
InChI InChI=1S/C14H12F7NO3/c1-2-25-10(23)8-22(9-6-4-3-5-7-9)11(24)12(15,16)13(17,18)14(19,20)21/h3-7H,2,8H2,1H3
InChIKey HSRHRNVRJPMBHI-UHFFFAOYSA-N
Molecular Weight 375.243 g/mol
SMILES C1=CC=CC(=C1)N(CC(=O)OCC)C(=O)C(C(C(F)(F)F)(F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928261