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3-geranyl-4-hydroxy-5-(3'-methyl-2'-butenyl)-benzoic acid
SpectraBase Compound ID 5hal2ZAPHuH
InChI InChI=1S/C22H30O3/c1-15(2)7-6-8-17(5)10-12-19-14-20(22(24)25)13-18(21(19)23)11-9-16(3)4/h7,9-10,13-14,23H,6,8,11-12H2,1-5H3,(H,24,25)/b17-10+
InChIKey SUXGLLRPXXXJER-LICLKQGHSA-N
Mol Weight 342.48 g/mol
Molecular Formula C22H30O3
Exact Mass 342.219495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 45q23hJcEaG
Name 3-geranyl-4-hydroxy-5-(3'-methyl-2'-butenyl)-benzoic acid
Appearance Yellow oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-15(2)7-6-8-17(5)10-12-19-14-20(22(24)25)13-18(21(19)23)11-9-16(3)4/h7,9-10,13-14,23H,6,8,11-12H2,1-5H3,(H,24,25)/b17-10+
InChIKey SUXGLLRPXXXJER-LICLKQGHSA-N
Instrument Name Shimadzu DI-2010
Ionization Type EI
Literature Reference DOI 10.1016/j.arabjc.2015.06.032
Molecular Weight 342.479 g/mol
SMILES Oc1c(cc(C(O)=O)cc1C\C=C\(CCC=C(C)C)C)CC=C(C)C
SPLASH splash10-01bc-7950000000-ab68a75133f5e8a1a3be
Source of Spectrum AJC-9-878-MAA
Synonyms Myrsinoic acid A
Wiley ID 1857076