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2-(2-acetoxyheptadecyl)-4,6-dimethoxy-benzoic acid
SpectraBase Compound ID 2LVYmmKoPxc
InChI InChI=1S/C28H46O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(34-22(2)29)19-23-20-25(32-3)21-26(33-4)27(23)28(30)31/h20-21,24H,5-19H2,1-4H3,(H,30,31)
InChIKey HWEKXLKZESNNJU-UHFFFAOYSA-N
Mol Weight 478.7 g/mol
Molecular Formula C28H46O6
Exact Mass 478.329439 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LL1X7EjzKQN
Name 2-(2-acetoxyheptadecyl)-4,6-dimethoxy-benzoic acid
Alternate Name(s) 2-(2-acetyloxyheptadecyl)-4,6-dimethoxybenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H46O6
InChI InChI=1S/C28H46O6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(34-22(2)29)19-23-20-25(32-3)21-26(33-4)27(23)28(30)31/h20-21,24H,5-19H2,1-4H3,(H,30,31)
InChIKey HWEKXLKZESNNJU-UHFFFAOYSA-N
Molecular Weight 478.670 g/mol
SMILES OC(c1c(CC(OC(C)=O)CCCCCCCCCCCCCCC)cc(cc1OC)OC)=O
SPLASH splash10-0aor-0391700000-4bbb7bc6136c986280da
Source of Spectrum F7-20-292-2
Wiley ID 1556910