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CJ-13,108

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CJ-13,108
SpectraBase Compound ID 82Ll4LCfQIg
InChI InChI=1S/C24H36O5/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/h16-17,21H,4-15H2,1-3H3
InChIKey MUKFFTYQWKJCKI-UHFFFAOYSA-N
Mol Weight 404.5 g/mol
Molecular Formula C24H36O5
Exact Mass 404.256274 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1CHDkMCdFYq
Name (+-)-CJ-13,108
Alternate Name(s) 5,7-Dimethoxy-3-(13-oxotetradecyl)-3H-2-benzofuran-1-one 5,7-Dimethoxy-3-(13-oxotetradecyl)-3H-isobenzofuran-1-one 5,7-Dimethoxy-3-(13-oxidanylidenetetradecyl)-3H-2-benzofuran-1-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H36O5
InChI InChI=1S/C24H36O5/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/h16-17,21H,4-15H2,1-3H3
InChIKey MUKFFTYQWKJCKI-UHFFFAOYSA-N
Molecular Weight 404.547 g/mol
SMILES c12C(OC(c2cc(cc1OC)OC)CCCCCCCCCCCCC(=O)C)=O
SPLASH splash10-0007-1955300000-5ee6ab91e79a8b3745d6
Source of Spectrum KC-61-10041-7
Wiley ID 1630835