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2,4-Dibenzoxy-6-[(6R)-6-hydroxyheptyl]benzoic acid

View entire compound with spectra: 1 MS (GC)

2,4-Dibenzoxy-6-[(6R)-6-hydroxyheptyl]benzoic acid
SpectraBase Compound ID AyKCijZHd6Q
InChI InChI=1S/C28H32O5/c1-21(29)11-5-2-10-16-24-17-25(32-19-22-12-6-3-7-13-22)18-26(27(24)28(30)31)33-20-23-14-8-4-9-15-23/h3-4,6-9,12-15,17-18,21,29H,2,5,10-11,16,19-20H2,1H3,(H,30,31)/t21-/m1/s1
InChIKey ZKEVJDGTDOQPFV-OAQYLSRUSA-N
Mol Weight 448.6 g/mol
Molecular Formula C28H32O5
Exact Mass 448.224974 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3eXixug9hQW
Name 2,4-Dibenzoxy-6-[(6R)-6-hydroxyheptyl]benzoic acid
Alternate Name(s) 2,4-Dibenzyloxy-6-[(6R)-6-hydroxyheptyl]benzoic acid 2-[(6R)-6-hydroxyheptyl]-4,6-bis(phenylmethoxy)benzoic acid 2-[(6R)-6-oxidanylheptyl]-4,6-bis(phenylmethoxy)benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H32O5
InChI InChI=1S/C28H32O5/c1-21(29)11-5-2-10-16-24-17-25(32-19-22-12-6-3-7-13-22)18-26(27(24)28(30)31)33-20-23-14-8-4-9-15-23/h3-4,6-9,12-15,17-18,21,29H,2,5,10-11,16,19-20H2,1H3,(H,30,31)/t21-/m1/s1
InChIKey ZKEVJDGTDOQPFV-OAQYLSRUSA-N
Molecular Weight 448.559 g/mol
SMILES O[C@@](CCCCCc1cc(cc(c1C(=O)O)OCc1ccccc1)OCc1ccccc1)(C)[H]
SPLASH splash10-0006-9102000000-adea00e22c1786b67872
Source of Spectrum KC-57-5382-21
Wiley ID 1624642