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

*Links on SpectraBase are not permalinks.

Acetamide, 2,2,2-trifluoro-N-[4-[2-(1,2,3,8,9,10-hexahydro-3,8-dimethyl-3,8-diundecylbenzo[1,2-b:4,3-b']dipyran-5-yl)ethyl]phenyl]-

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Acetamide, 2,2,2-trifluoro-N-[4-[2-(1,2,3,8,9,10-hexahydro-3,8-dimethyl-3,8-diundecylbenzo[1,2-b:4,3-b']dipyran-5-yl)ethyl]phenyl]-
SpectraBase Compound ID 4pH1bOqVIwm
InChI InChI=1S/C46H70F3NO3/c1-5-7-9-11-13-15-17-19-21-31-44(3)33-29-39-40-30-34-45(4,32-22-20-18-16-14-12-10-8-6-2)53-42(40)37(35-41(39)52-44)26-23-36-24-27-38(28-25-36)50-43(51)46(47,48)49/h24-25,27-28,35H,5-23,26,29-34H2,1-4H3,(H,50,51)
InChIKey VUVMDZABYORJOT-UHFFFAOYSA-N
Mol Weight 742.1 g/mol
Molecular Formula C46H70F3NO3
Exact Mass 741.53078 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 4uDSnhvAfe4
Name Acetamide, 2,2,2-trifluoro-N-[4-[2-(1,2,3,8,9,10-hexahydro-3,8-dimethyl-3,8-diundecylbenzo[1,2-B:4,3-B']dipyran-5-yl)ethyl]phenyl]-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 741.530779604 u
Formula C46H70F3NO3
InChI InChI=1S/C46H70F3NO3/c1-5-7-9-11-13-15-17-19-21-31-44(3)33-29-39-40-30-34-45(4,32-22-20-18-16-14-12-10-8-6-2)53-42(40)37(35-41(39)52-44)26-23-36-24-27-38(28-25-36)50-43(51)46(47,48)49/h24-25,27-28,35H,5-23,26,29-34H2,1-4H3,(H,50,51)
InChIKey VUVMDZABYORJOT-UHFFFAOYSA-N
Molecular Weight 742.065 g/mol
SMILES CCCCCCCCCCCC1(C)CCC=2C(O1)=CC(=C1C2CCC(O1)(C)CCCCCCCCCCC)CCC1=CC=C(C=C1)NC(=O)C(F)(F)F