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7-[Octadecyloxy]-2,2-dimethyl-4-chromanone

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

7-[Octadecyloxy]-2,2-dimethyl-4-chromanone
SpectraBase Compound ID DaDIuon8cML
InChI InChI=1S/C29H48O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-25-20-21-26-27(30)24-29(2,3)32-28(26)23-25/h20-21,23H,4-19,22,24H2,1-3H3
InChIKey KOUQVFHPDFONOK-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C29H48O3
Exact Mass 444.360345 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 33bJIl2eMYn
Name 7-[Octadecyloxy]-2,2-dimethyl-4-chromanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 444.360345403 u
Formula C29H48O3
InChI InChI=1S/C29H48O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22-31-25-20-21-26-27(30)24-29(2,3)32-28(26)23-25/h20-21,23H,4-19,22,24H2,1-3H3
InChIKey KOUQVFHPDFONOK-UHFFFAOYSA-N
Molecular Weight 444.700 g/mol
SMILES C1(CC(C=2C=CC(=CC2O1)OCCCCCCCCCCCCCCCCCC)=O)(C)C