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Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icos-1-ylmethyl trifluoroacetate
SpectraBase Compound ID KG9WIfu6rwX
InChI InChI=1S/C25H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-16-22(17-14-20)29-25(28)23-18-15-21(26)19-24(23)27/h13-19,26-27H,2-12H2,1H3
InChIKey SCZYVXAVSKYKGE-UHFFFAOYSA-N
Mol Weight 398.5 g/mol
Molecular Formula C25H34O4
Exact Mass 398.24571 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IXElaTdrC26
Name Pentacyclo[6.6.6.0(2,7).0(9,14).0(15,20)]icos-1-ylmethyl trifluoroacetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H34O4
InChI InChI=1S/C25H34O4/c1-2-3-4-5-6-7-8-9-10-11-12-20-13-16-22(17-14-20)29-25(28)23-18-15-21(26)19-24(23)27/h13-19,26-27H,2-12H2,1H3
InChIKey SCZYVXAVSKYKGE-UHFFFAOYSA-N
Molecular Weight 398.543 g/mol
SMILES Oc1ccc(c(c1)O)C(Oc1ccc(CCCCCCCCCCCC)cc1)=O
SPLASH splash10-000i-2911000000-bc99400a9cd3dd44c9a7
Source of Spectrum JX-2015-3-1979
Synonyms 4-Dodecylphenyl 2,4-dihydroxybenzoate 2,4-Dihydroxybenzoic acid (4-dodecylphenyl) ester (4-dodecylphenyl) 2,4-dihydroxybenzoate (4-dodecylphenyl) 2,4-bis(oxidanyl)benzoate
Wiley ID 1725438