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(.+/-.)-dropropizine, bis(heptafluorobutyrate)

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

(.+/-.)-dropropizine, bis(heptafluorobutyrate)
SpectraBase Compound ID 9aj1gYQukEM
InChI InChI=1S/C21H18F14N2O4/c22-16(23,18(26,27)20(30,31)32)14(38)40-11-13(41-15(39)17(24,25)19(28,29)21(33,34)35)10-36-6-8-37(9-7-36)12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKey PFRXRQBTVXPNRD-UHFFFAOYSA-N
Mol Weight 628.36 g/mol
Molecular Formula C21H18F14N2O4
Exact Mass 628.104301 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3NBiYbbuAIw
Name (.+/-.)-dropropizine, bis(heptafluorobutyrate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 628.104301346 u
Formula C21H18F14N2O4
InChI InChI=1S/C21H18F14N2O4/c22-16(23,18(26,27)20(30,31)32)14(38)40-11-13(41-15(39)17(24,25)19(28,29)21(33,34)35)10-36-6-8-37(9-7-36)12-4-2-1-3-5-12/h1-5,13H,6-11H2
InChIKey PFRXRQBTVXPNRD-UHFFFAOYSA-N
Molecular Weight 628.363 g/mol
SMILES C(C(COC(=O)C(C(C(F)(F)F)(F)F)(F)F)OC(=O)C(C(C(F)(F)F)(F)F)(F)F)N1CCN(CC1)C1=CC=CC=C1