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QUYGEGSOVYMIEU-XURGJTJWSA-N
SpectraBase Compound ID G8qGQ0vZVQ2
InChI InChI=1S/C22H30O3/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22(24)25)13-14-21(19)23/h7,9,11,13-15,23H,5-6,8,10,12H2,1-4H3,(H,24,25)/b17-9+,18-11+
InChIKey QUYGEGSOVYMIEU-XURGJTJWSA-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 HjbPt41DTGj
Name 4-Hydroxy-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H30O3
InChI InChI=1S/C22H30O3/c1-16(2)7-5-8-17(3)9-6-10-18(4)11-12-19-15-20(22(24)25)13-14-21(19)23/h7,9,11,13-15,23H,5-6,8,10,12H2,1-4H3,(H,24,25)/b17-9+,18-11+
InChIKey QUYGEGSOVYMIEU-XURGJTJWSA-N
Molecular Weight 342.479 g/mol
SMILES Oc1c(cc(C(=O)O)cc1)C\C=C\(CC\C=C\(CCC=C(C)C)C)C
SPLASH splash10-0gb9-9400000000-2f89f70c20c3466483e3
Source of Spectrum X2-57-850-3
Synonyms 4-Oxidanyl-3-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]benzoic acid
Wiley ID 1605455