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Methyl perfluorooctanoate

View entire compound with spectra: 3 NMR, 5 FTIR, 1 Raman, and 1 MS (GC)

Methyl perfluorooctanoate
SpectraBase Compound ID FHBPggJJfuH
InChI InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
InChIKey XOCNYZFAMHDXJK-UHFFFAOYSA-N
Mol Weight 428.1 g/mol
Molecular Formula C9H3F15O2
Exact Mass 427.989352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CSDbRsmS8DY
Name Methyl perfluorooctanoate
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 406457
CAS Registry Number 376-27-2
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H3F15O2
InChI InChI=1S/C9H3F15O2/c1-26-2(25)3(10,11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)24/h1H3
InChIKey XOCNYZFAMHDXJK-UHFFFAOYSA-N
Observed nucleus 1H
Purity 98%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Synonyms Methyl pentadecafluorooctanoate
Wiley ID SIAL_1HNMR_008852