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5-Nonadecylresorcinol, o,o-bis-tfa

View entire compound with spectra: 1 NMR

5-Nonadecylresorcinol, o,o-bis-tfa
SpectraBase Compound ID FKqVAAFuaSY
InChI InChI=1S/C29H42F6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(38-26(36)28(30,31)32)22-25(21-23)39-27(37)29(33,34)35/h20-22H,2-19H2,1H3
InChIKey PRNCEZRWMCEKJO-UHFFFAOYSA-N
Mol Weight 568.6 g/mol
Molecular Formula C29H42F6O4
Exact Mass 568.298729 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2yVfmryCamA
Name 5-Nonadecylresorcinol, o,o-bis-tfa
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 568.298728806 u
Formula C29H42F6O4
InChI InChI=1S/C29H42F6O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-20-24(38-26(36)28(30,31)32)22-25(21-23)39-27(37)29(33,34)35/h20-22H,2-19H2,1H3
InChIKey PRNCEZRWMCEKJO-UHFFFAOYSA-N
Molecular Weight 568.641 g/mol
SMILES C(F)(F)(F)C(=O)OC1=CC(CCCCCCCCCCCCCCCCCCC)=CC(OC(C(F)(F)F)=O)=C1