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

*Links on SpectraBase are not permalinks.
5-(N-tert-Butoxycarbony)amino-5-[2-(pentafluorophenyl)ethynyl]-2-phenyl-1,3-dioxacyclohexane
SpectraBase Compound ID LFKWCtTR9ot
InChI InChI=1S/C23H20F5NO4/c1-22(2,3)33-21(30)29-23(11-31-20(32-12-23)13-7-5-4-6-8-13)10-9-14-15(24)17(26)19(28)18(27)16(14)25/h4-8,20H,11-12H2,1-3H3,(H,29,30)
InChIKey OVGICIRZHIVQGC-UHFFFAOYSA-N
Mol Weight 469.41 g/mol
Molecular Formula C23H20F5NO4
Exact Mass 469.131249 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 8Xy83GxYVpR
Name 5-(N-tert-Butoxycarbony)amino-5-[2-(pentafluorophenyl)ethynyl]-2-phenyl-1,3-dioxacyclohexane
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H20F5NO4
InChI InChI=1S/C23H20F5NO4/c1-22(2,3)33-21(30)29-23(11-31-20(32-12-23)13-7-5-4-6-8-13)10-9-14-15(24)17(26)19(28)18(27)16(14)25/h4-8,20H,11-12H2,1-3H3,(H,29,30)
InChIKey OVGICIRZHIVQGC-UHFFFAOYSA-N
Molecular Weight 469.408 g/mol
SMILES N(C(OC(C)(C)C)=O)C1(C#Cc2c(c(F)c(c(c2F)F)F)F)COC(OC1)c1ccccc1
SPLASH splash10-0059-0090000000-24079792cad5cfaa61e9
Source of Spectrum F-67-2546-11c
Wiley ID 1686140