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5-[5-(2-butyl-2-methyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-furan-2-yl]-2-chloro-benzoic acid

View entire compound with spectra: 1 MS (GC)

5-[5-(2-butyl-2-methyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-furan-2-yl]-2-chloro-benzoic acid
SpectraBase Compound ID 8SSPRAI1beI
InChI InChI=1S/C21H19ClO7/c1-3-4-9-21(2)28-19(25)15(20(26)29-21)11-13-6-8-17(27-13)12-5-7-16(22)14(10-12)18(23)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,24)/b15-11-
InChIKey TVVMRMOOMVSGBH-PTNGSMBKSA-N
Mol Weight 418.83 g/mol
Molecular Formula C21H19ClO7
Exact Mass 418.081931 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AHLVy60Gofb
Name 5-[5-(2-butyl-2-methyl-4,6-dioxo-[1,3]dioxan-5-ylidenemethyl)-furan-2-yl]-2-chloro-benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H19ClO7
InChI InChI=1S/C21H19ClO7/c1-3-4-9-21(2)28-19(25)15(20(26)29-21)11-13-6-8-17(27-13)12-5-7-16(22)14(10-12)18(23)24/h5-8,10-11H,3-4,9H2,1-2H3,(H,23,24)/b15-11-
InChIKey TVVMRMOOMVSGBH-PTNGSMBKSA-N
Molecular Weight 418.829 g/mol
SMILES OC(c1cc(-c2oc(C=C3C(OC(OC3=O)(CCCC)C)=O)cc2)ccc1Cl)=O
SPLASH splash10-0006-9351000000-eeaad024e3cfc56e47d8
Wiley ID 1443248