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CJ-13,104

View entire compound with spectra: 1 NMR, and 1 MS (GC)

CJ-13,104
SpectraBase Compound ID 3oa2kNdmyNc
InChI InChI=1S/C24H38O5/c1-18(25)14-12-10-8-6-4-5-7-9-11-13-15-21-20-16-19(27-2)17-22(28-3)23(20)24(26)29-21/h16-18,21,25H,4-15H2,1-3H3
InChIKey URHQQJQMONPELH-UHFFFAOYSA-N
Mol Weight 406.6 g/mol
Molecular Formula C24H38O5
Exact Mass 406.271924 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FtYVLE0lL6y
Name (+-)-CJ-13,104
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H38O5
InChI InChI=1S/C24H38O5/c1-18(25)14-12-10-8-6-4-5-7-9-11-13-15-21-20-16-19(27-2)17-22(28-3)23(20)24(26)29-21/h16-18,21,25H,4-15H2,1-3H3
InChIKey URHQQJQMONPELH-UHFFFAOYSA-N
Molecular Weight 406.563 g/mol
SMILES OC(CCCCCCCCCCCCC1c2c(C(O1)=O)c(cc(OC)c2)OC)C
SPLASH splash10-052f-4947000000-1b46e72c10f525a406a4
Source of Spectrum KC-61-10041-6
Synonyms 3-(13-hydroxytetradecyl)-5,7-dimethoxy-3H-2-benzofuran-1-one 3-(13-hydroxytetradecyl)-5,7-dimethoxy-3H-isobenzofuran-1-one 5,7-Dimethoxy-3-(13-oxidanyltetradecyl)-3H-2-benzofuran-1-one
Wiley ID 1630834