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Heptadecafluorononanoic acid, heptadecyl ester

View entire compound with spectra: 1 NMR

Heptadecafluorononanoic acid, heptadecyl ester
SpectraBase Compound ID AXZMxu1LMw9
InChI InChI=1S/C26H35F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-45-18(44)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h2-17H2,1H3
InChIKey DVJOQNDJNBTMOW-UHFFFAOYSA-N
Mol Weight 702.5 g/mol
Molecular Formula C26H35F17O2
Exact Mass 702.236559 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GTTYOhMN0Vq
Name Heptadecafluorononanoic acid, heptadecyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 702.236559136 u
Formula C26H35F17O2
InChI InChI=1S/C26H35F17O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-45-18(44)19(27,28)20(29,30)21(31,32)22(33,34)23(35,36)24(37,38)25(39,40)26(41,42)43/h2-17H2,1H3
InChIKey DVJOQNDJNBTMOW-UHFFFAOYSA-N
Molecular Weight 702.537 g/mol
SMILES C(C(C(C(C(OCCCCCCCCCCCCCCCCC)=O)(F)F)(F)F)(F)F)(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F