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Methyl 2-chloro-4-octadecanyloxy 3,6-dihydroxybenzoate
SpectraBase Compound ID HPKqmqclCUz
InChI InChI=1S/C26H43ClO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-22-20-21(28)23(26(30)31-2)24(27)25(22)29/h20,28-29H,3-19H2,1-2H3
InChIKey BRYXGWLCZQDLTQ-UHFFFAOYSA-N
Mol Weight 471.1 g/mol
Molecular Formula C26H43ClO5
Exact Mass 470.279902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7FHapJDD6Pt
Name Methyl 2-chloro-4-octadecanyloxy 3,6-dihydroxybenzoate
Comments Removed - expert review - bad spectrum
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Formula C26H43ClO5
InChI InChI=1S/C26H43ClO5/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-32-22-20-21(28)23(26(30)31-2)24(27)25(22)29/h20,28-29H,3-19H2,1-2H3
InChIKey BRYXGWLCZQDLTQ-UHFFFAOYSA-N
Molecular Weight 471.078 g/mol
SMILES Oc1c(c(c(cc1OCCCCCCCCCCCCCCCCCC)O)C(=O)OC)Cl
SPLASH splash10-00kr-0950000000-7d6be9e80c4d93bca23b
Source of Spectrum F-54-1947-5
Synonyms methyl 2-chloro-3,6-dihydroxy-4-(octadecyloxy)benzoate
Wiley ID 806025