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

*Links on SpectraBase are not permalinks.
(E,2S)-N-Benzyl-5-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-(trifluoromethyl)pent-4-enamide
SpectraBase Compound ID BFlDIbsnQVo
InChI InChI=1S/C18H21F4NO3/c1-16(2)25-12-14(26-16)9-6-10-17(19,18(20,21)22)15(24)23-11-13-7-4-3-5-8-13/h3-9,14H,10-12H2,1-2H3,(H,23,24)/b9-6+/t14-,17-/m0/s1
InChIKey OCNISZWZLZZCNU-YOFDASAYSA-N
Mol Weight 375.36 g/mol
Molecular Formula C18H21F4NO3
Exact Mass 375.145756 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 JjUZ9gGbLUH
Name (E,2S)-N-Benzyl-5-((S)-2,2-dimethyl-1,3-dioxolan-4-yl)-2-fluoro-2-(trifluoromethyl)pent-4-enamide
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 375.145756189 u
Formula C18H21F4NO3
InChI InChI=1S/C18H21F4NO3/c1-16(2)25-12-14(26-16)9-6-10-17(19,18(20,21)22)15(24)23-11-13-7-4-3-5-8-13/h3-9,14H,10-12H2,1-2H3,(H,23,24)/b9-6+/t14-,17-/m0/s1
InChIKey OCNISZWZLZZCNU-YOFDASAYSA-N
Instrument Name Bruker Daltonics 320
Ionization Type EI
Literature Reference DOI 10.1002/ejoc.202101378
Molecular Weight 375.364 g/mol
Quality 141
SMILES N(C([C@@](C\C=C\[C@]1(COC(O1)(C)C)[H])(C(F)(F)F)F)=O)CC1=CC=CC=C1
SPLASH splash10-0006-9000000000-fca95f38fdb9b5c16cb2
Source of Spectrum K1-2022-SM7-15b' (DOI: 10.1002/ejoc.202101378)
Wiley ID 1898606