For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

Phenmetrazine, N-(carbethoxyhexafluorobutyryl)-

View entire compound with spectra: 1 NMR

Phenmetrazine, N-(carbethoxyhexafluorobutyryl)-
SpectraBase Compound ID JKUGGddy2nB
InChI InChI=1S/C18H19F6NO4/c1-3-28-15(27)17(21,22)18(23,24)16(19,20)14(26)25-9-10-29-13(11(25)2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKey YBKSKIKJGCILOY-UHFFFAOYSA-N
Mol Weight 427.34 g/mol
Molecular Formula C18H19F6NO4
Exact Mass 427.121827 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 6YnJlbFOGs3
Name Phenmetrazine, N-(carbethoxyhexafluorobutyryl)-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 427.121827070 u
Formula C18H19F6NO4
InChI InChI=1S/C18H19F6NO4/c1-3-28-15(27)17(21,22)18(23,24)16(19,20)14(26)25-9-10-29-13(11(25)2)12-7-5-4-6-8-12/h4-8,11,13H,3,9-10H2,1-2H3
InChIKey YBKSKIKJGCILOY-UHFFFAOYSA-N
Molecular Weight 427.343 g/mol
SMILES C1=CC=C(C=C1)C1OCCN(C1C)C(C(C(C(C(OCC)=O)(F)F)(F)F)(F)F)=O