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4-Acetyl-3,5-dihydroxy-1-pentylbenzene
SpectraBase Compound ID 6lgq8V4ribO
InChI InChI=1S/C13H18O3/c1-3-4-5-6-10-7-11(15)13(9(2)14)12(16)8-10/h7-8,15-16H,3-6H2,1-2H3
InChIKey QISXVKLKHZOKIX-UHFFFAOYSA-N
Mol Weight 222.28 g/mol
Molecular Formula C13H18O3
Exact Mass 222.125594 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6DXyiN8l8gS
Name 4-Acetyl-3,5-dihydroxy-1-pentylbenzene
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H18O3
InChI InChI=1S/C13H18O3/c1-3-4-5-6-10-7-11(15)13(9(2)14)12(16)8-10/h7-8,15-16H,3-6H2,1-2H3
InChIKey QISXVKLKHZOKIX-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/open.202000343
Molecular Weight 222.284 g/mol
SMILES Oc1cc(cc(c1C(=O)C)O)CCCCC
SPLASH splash10-052f-9000000000-c83d0a790b2e1f377eaf
Source of Spectrum CHO-10-SM5-15b
Thin-Layer Chromatography Rf = 0.08 (CH/EtOAc, 10:1)
Wiley ID 1865932