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Olivetolic acid

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

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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OPk9zTxPoE
Name 2,4-Dihydroxy-6-pentylbenzoic acid
Alternate Name(s) 2,4-bis(oxidanyl)-6-pentyl-benzoic acid 2-Amyl-4,6-dihydroxy-benzoic acid Allazetolcarboxylic acid Benzoic acid, 2,4-dihydroxy-6-pentyl- Olivetolate Olivetolcarboxylic acid Olivetolic acid
CAS Registry Number 491-72-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H16O4
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
Molecular Weight 224.256 g/mol
SMILES Oc1cc(c(C(=O)O)c(c1)CCCCC)O
SPLASH splash10-00di-0930000000-bd2415154dfd30328caa
Source of Spectrum W5-1989-35604-29932
Wiley ID 1224962