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

*Links on SpectraBase are not permalinks.

Dodecanoic acid, tricosafluoro-, methyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Dodecanoic acid, tricosafluoro-, methyl ester
SpectraBase Compound ID 8K4wCsRc3eG
InChI InChI=1S/C13H3F23O2/c1-38-2(37)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h1H3
InChIKey ABNZIVVYHQYSLI-UHFFFAOYSA-N
Mol Weight 628.13 g/mol
Molecular Formula C13H3F23O2
Exact Mass 627.976577 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 94LWilaNDRT
Name Dodecanoic acid, tricosafluoro-, methyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 627.976577084 u
Formula C13H3F23O2
InChI InChI=1S/C13H3F23O2/c1-38-2(37)3(14,15)4(16,17)5(18,19)6(20,21)7(22,23)8(24,25)9(26,27)10(28,29)11(30,31)12(32,33)13(34,35)36/h1H3
InChIKey ABNZIVVYHQYSLI-UHFFFAOYSA-N
Molecular Weight 628.128 g/mol
SMILES C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(C(C(C(C(C(OC)=O)(F)F)(F)F)(F)F)(F)F)(F)F