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1-(2'-Formyl-3',5'-dimethoxyphenyl)heptadecan-2-yl) acetate

View entire compound with spectra: 1 NMR, and 2 MS (GC)

1-(2'-Formyl-3',5'-dimethoxyphenyl)heptadecan-2-yl) acetate
SpectraBase Compound ID Fb2XK9oBiZI
InChI InChI=1S/C28H46O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33-23(2)30)19-24-20-26(31-3)21-28(32-4)27(24)22-29/h20-22,25H,5-19H2,1-4H3
InChIKey BAVUUJNRTVNHIV-UHFFFAOYSA-N
Mol Weight 462.7 g/mol
Molecular Formula C28H46O5
Exact Mass 462.334525 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2OX6zNmRWd9
Name 1-(2'-Formyl-3',5'-dimethoxyphenyl)heptadecan-2-yl) acetate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.334524576 u
Formula C28H46O5
InChI InChI=1S/C28H46O5/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(33-23(2)30)19-24-20-26(31-3)21-28(32-4)27(24)22-29/h20-22,25H,5-19H2,1-4H3
InChIKey BAVUUJNRTVNHIV-UHFFFAOYSA-N
Molecular Weight 462.671 g/mol
SMILES C=1(C(=C(OC)C=C(C1)OC)C=O)CC(OC(=O)C)CCCCCCCCCCCCCCC