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Olivetolic acid
SpectraBase Compound ID 3IMxqiXpITN
InChI InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
InChIKey SXFKFRRXJUJGSS-UHFFFAOYSA-N
Mol Weight 224.26 g/mol
Molecular Formula C12H16O4
Exact Mass 224.104859 g/mol

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

Attenuated Total Reflectance Infrared (ATR-IR) Spectrum

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SpectraBase Spectrum ID 46CewxghCSZ
Name Olivetolic acid
Source of Sample Cayman Chemical Company
Catalog Number 26282
Lot Number 0595381-9
Accessory DurasamplIR II
Apodization Function Norton-Beer, medium
CAS Registry Number 491-72-5
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Formula C12H16O4
IUPAC Name 2,4-Dihydroxy-6-pentylbenzoic acid
InChI InChI=1S/C12H16O4/c1-2-3-4-5-8-6-9(13)7-10(14)11(8)12(15)16/h6-7,13-14H,2-5H2,1H3,(H,15,16)
InChIKey SXFKFRRXJUJGSS-UHFFFAOYSA-N
Instrument Name Bio-Rad FTS
Molecular Weight 224.256 g/mol
Purity >=90% (mixture of isomers)
SMILES Oc1cc(cc(c1C(O)=O)CCCCC)O
Scan Speed (number) 5
Source of Spectrum Forensic Spectral Research
Synonyms Olivetolate; Olivetolcarboxylic acid
Technique ATR-Neat
UV - Neutral Conditions UVmax (nm): 218, 263, 301