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2-Methyloctadeca-7,8-diol bis(trifluoroacetate)

View entire compound with spectra: 1 NMR

2-Methyloctadeca-7,8-diol bis(trifluoroacetate)
SpectraBase Compound ID GsAsfQZkoF5
InChI InChI=1S/C23H38F6O4/c1-4-5-6-7-8-9-10-11-15-18(32-20(30)22(24,25)26)19(16-13-12-14-17(2)3)33-21(31)23(27,28)29/h17-19H,4-16H2,1-3H3
InChIKey XBAWBPISKQGYAK-UHFFFAOYSA-N
Mol Weight 492.5 g/mol
Molecular Formula C23H38F6O4
Exact Mass 492.267429 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3IKcHiW705v
Name 2-Methyloctadeca-7,8-diol bis(trifluoroacetate)
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 492.267428678 u
Formula C23H38F6O4
InChI InChI=1S/C23H38F6O4/c1-4-5-6-7-8-9-10-11-15-18(32-20(30)22(24,25)26)19(16-13-12-14-17(2)3)33-21(31)23(27,28)29/h17-19H,4-16H2,1-3H3
InChIKey XBAWBPISKQGYAK-UHFFFAOYSA-N
Molecular Weight 492.543 g/mol
SMILES CCCCCCCCCCC(C(CCCCC(C)C)OC(C(F)(F)F)=O)OC(=O)C(F)(F)F