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1',6'-Bis(4-Carboxy-2-methoxyphenoxy)hexane
SpectraBase Compound ID 5l0u1jpjsgr
InChI InChI=1S/C22H26O8/c1-27-19-13-15(21(23)24)7-9-17(19)29-11-5-3-4-6-12-30-18-10-8-16(22(25)26)14-20(18)28-2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKey VYFRKSRZWNZZFZ-UHFFFAOYSA-N
Mol Weight 418.44 g/mol
Molecular Formula C22H26O8
Exact Mass 418.162768 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Imn8CxAOUlb
Name 1',6'-Bis(4-Carboxy-2-methoxyphenoxy)hexane
Alternate Name(s) 4-{[6-(4-carboxy-2-methoxyphenoxy)hexyl]oxy}-3-methoxybenzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H26O8
InChI InChI=1S/C22H26O8/c1-27-19-13-15(21(23)24)7-9-17(19)29-11-5-3-4-6-12-30-18-10-8-16(22(25)26)14-20(18)28-2/h7-10,13-14H,3-6,11-12H2,1-2H3,(H,23,24)(H,25,26)
InChIKey VYFRKSRZWNZZFZ-UHFFFAOYSA-N
Molecular Weight 418.442 g/mol
SMILES OC(c1cc(c(OCCCCCCOc2c(cc(C(=O)O)cc2)OC)cc1)OC)=O
SPLASH splash10-0a59-9100100000-d36850e71fab288746a7
Source of Spectrum J-61-8144-6
Wiley ID 1377153