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L-Valine, N-heptafluorobutyryl-, heptyl ester

View entire compound with spectra: 1 NMR

L-Valine, N-heptafluorobutyryl-, heptyl ester
SpectraBase Compound ID C2ntGePgZEL
InChI InChI=1S/C16H24F7NO3/c1-4-5-6-7-8-9-27-12(25)11(10(2)3)24-13(26)14(17,18)15(19,20)16(21,22)23/h10-11H,4-9H2,1-3H3,(H,24,26)
InChIKey MXZVFEVXCXJNSW-UHFFFAOYSA-N
Mol Weight 411.36 g/mol
Molecular Formula C16H24F7NO3
Exact Mass 411.164441 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CIwSkn88SHE
Name L-Valine, N-heptafluorobutyryl-, heptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 411.164440775 u
Formula C16H24F7NO3
InChI InChI=1S/C16H24F7NO3/c1-4-5-6-7-8-9-27-12(25)11(10(2)3)24-13(26)14(17,18)15(19,20)16(21,22)23/h10-11H,4-9H2,1-3H3,(H,24,26)
InChIKey MXZVFEVXCXJNSW-UHFFFAOYSA-N
Molecular Weight 411.361 g/mol
SMILES CCCCCCCOC(C(C(C)C)NC(C(C(C(F)(F)F)(F)F)(F)F)=O)=O