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6,8-Dimethoxy-3-hydroxy-3-pentadecyl-3,4-dihydroisocoumarin

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

6,8-Dimethoxy-3-hydroxy-3-pentadecyl-3,4-dihydroisocoumarin
SpectraBase Compound ID 2kZT6VR6SEB
InChI InChI=1S/C26H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)20-21-18-22(29-2)19-23(30-3)24(21)25(27)31-26/h18-19,28H,4-17,20H2,1-3H3
InChIKey YXVXZKUPAHQJMN-UHFFFAOYSA-N
Mol Weight 434.6 g/mol
Molecular Formula C26H42O5
Exact Mass 434.303224 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4ymXhCh8S0l
Name 6,8-Dimethoxy-3-hydroxy-3-pentadecyl-3,4-dihydroisocoumarin
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 434.303224447 u
Formula C26H42O5
InChI InChI=1S/C26H42O5/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(28)20-21-18-22(29-2)19-23(30-3)24(21)25(27)31-26/h18-19,28H,4-17,20H2,1-3H3
InChIKey YXVXZKUPAHQJMN-UHFFFAOYSA-N
Molecular Weight 434.617 g/mol
SMILES C1(=O)OC(CC=2C=C(C=C(C12)OC)OC)(CCCCCCCCCCCCCCC)O