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

*Links on SpectraBase are not permalinks.

6-Pefluorobutyl-octadecanoic acid

View entire compound with spectra: 1 MS (GC)

6-Pefluorobutyl-octadecanoic acid
SpectraBase Compound ID CDC0SpEomny
InChI InChI=1S/C22H35F9O2/c1-2-3-4-5-6-7-8-9-10-11-14-17(15-12-13-16-18(32)33)19(23,24)20(25,26)21(27,28)22(29,30)31/h17H,2-16H2,1H3,(H,32,33)
InChIKey SCSPSUXSLLGQEG-UHFFFAOYSA-N
Mol Weight 502.5 g/mol
Molecular Formula C22H35F9O2
Exact Mass 502.249334 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 3RmU5c3RwbI
Name 6-Pefluorobutyl-octadecanoic acid
Alternate Name(s) 6-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)octadecanoic acid
CAS Registry Number 138697-23-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H35F9O2
InChI InChI=1S/C22H35F9O2/c1-2-3-4-5-6-7-8-9-10-11-14-17(15-12-13-16-18(32)33)19(23,24)20(25,26)21(27,28)22(29,30)31/h17H,2-16H2,1H3,(H,32,33)
InChIKey SCSPSUXSLLGQEG-UHFFFAOYSA-N
Molecular Weight 502.506 g/mol
SMILES OC(CCCCC(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)CCCCCCCCCCCC)=O
SPLASH splash10-03r0-9000000000-eca4750d1b79f83c3a4e
Source of Spectrum U-1992-215-15
Wiley ID 763728