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

*Links on SpectraBase are not permalinks.
1-Methyl-4-isopyopylcyclohex-3-yl 2-fluoro-2-(4-isopropoxyphenyl)ethanoate
SpectraBase Compound ID 67PVf2nthKB
InChI InChI=1S/C21H31FO3/c1-13(2)18-11-6-15(5)12-19(18)25-21(23)20(22)16-7-9-17(10-8-16)24-14(3)4/h7-10,13-15,18-20H,6,11-12H2,1-5H3
InChIKey BUJWVIYCNCHXOW-UHFFFAOYSA-N
Mol Weight 350.47 g/mol
Molecular Formula C21H31FO3
Exact Mass 350.225723 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 974zth3xWv3
Name 1-Methyl-4-isopyopylcyclohex-3-yl 2-fluoro-2-(4-isopropoxyphenyl)ethanoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31FO3
InChI InChI=1S/C21H31FO3/c1-13(2)18-11-6-15(5)12-19(18)25-21(23)20(22)16-7-9-17(10-8-16)24-14(3)4/h7-10,13-15,18-20H,6,11-12H2,1-5H3
InChIKey BUJWVIYCNCHXOW-UHFFFAOYSA-N
Molecular Weight 350.474 g/mol
SMILES C(OC1C(CCC(C1)C)C(C)C)(C(c1ccc(OC(C)C)cc1)F)=O
SPLASH splash10-003r-9600000000-2ec5a29b327ba15dc657
Source of Spectrum AT-31-3140-2
Synonyms 2-isopropyl-5-methylcyclohexyl fluoro(4-isopropoxyphenyl)acetate
Wiley ID 835672