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

*Links on SpectraBase are not permalinks.
3-(2-(((1R,2S)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1-methyl-1H-benzo[d]imidazol-3-ium tetrafluoroborate
SpectraBase Compound ID 8LF9ebhEbEz
InChI InChI=1S/C20H29N2O2.BF4/c1-14(2)16-10-9-15(3)11-19(16)24-20(23)12-22-13-21(4)17-7-5-6-8-18(17)22;2-1(3,4)5/h5-8,13-16,19H,9-12H2,1-4H3;/q+1;-1/t15?,16-,19+;/m0./s1
InChIKey IDQNXGFCFWSQGW-ADPBQSIRSA-N
Mol Weight 416.27 g/mol
Molecular Formula C20H29BF4N2O2
Exact Mass 416.225821 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 4m5LPprMsQm
Name 3-(2-(((1R,2S)-2-isopropyl-5-methylcyclohexyl)oxy)-2-oxoethyl)-1-methyl-1H-benzo[d]imidazol-3-ium tetrafluoroborate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H29BF4N2O2
InChI InChI=1S/C20H29N2O2.BF4/c1-14(2)16-10-9-15(3)11-19(16)24-20(23)12-22-13-21(4)17-7-5-6-8-18(17)22;2-1(3,4)5/h5-8,13-16,19H,9-12H2,1-4H3;/q+1;-1/t15?,16-,19+;/m0./s1
InChIKey IDQNXGFCFWSQGW-ADPBQSIRSA-N
Literature Reference DOI 10.1016/j.tetasy.2016.04.004
Molecular Weight 416.268 g/mol
SMILES [B-](F)(F)(F)F.c12c(cccc2)[n](c[n+]1CC(O[C@@]1(CC(CC[C@]1(C(C)C)[H])C)[H])=O)C
SPLASH splash10-0007-3910000000-dc9b165d0bc532fc3bab
Source of Spectrum Avtar Singh, et al. Tetrahedron: Asymmetry, 10.1016/j.tetasy.2016.04.004
Wiley ID 1816044