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

*Links on SpectraBase are not permalinks.
Pentylone HFB
SpectraBase Compound ID IIoOeYRqSYQ
InChI InChI=1S/C17H16F7NO4/c1-3-4-10(13(26)9-5-6-11-12(7-9)29-8-28-11)25(2)14(27)15(18,19)16(20,21)17(22,23)24/h5-7,10H,3-4,8H2,1-2H3
InChIKey FYOCUBJOKGKXQO-UHFFFAOYSA-N
Mol Weight 431.31 g/mol
Molecular Formula C17H16F7NO4
Exact Mass 431.096755 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 H7MMGILf2Tz
Name Pentylone-HFBA Derivative
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F7NO4
InChI InChI=1S/C17H16F7NO4/c1-3-4-10(13(26)9-5-6-11-12(7-9)29-8-28-11)25(2)14(27)15(18,19)16(20,21)17(22,23)24/h5-7,10H,3-4,8H2,1-2H3
InChIKey FYOCUBJOKGKXQO-UHFFFAOYSA-N
Molecular Weight 431.307 g/mol
SMILES C(C(CCC)N(C)C(=O)C(C(C(F)(F)F)(F)F)(F)F)(=O)c1cc2c(cc1)OCO2
SPLASH splash10-0002-4910000000-13d646a287c99be033fd
Source of Spectrum SWG-33-3407-0
Synonyms N-(1-(benzo[d][1,3]dioxol-5-yl)-1-oxopentan-2-yl)-2,2,3,3,4,4,4-heptafluoro-N-methylbutanamide
Wiley ID 1810230