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Cyclododeca[b]furan-2-acetic acid, 6,7,8,9,10,11,12,13-octahydro-3-(methoxycarbonyl)-, methyl ester, (E)-
SpectraBase Compound ID LSwiMegJmca
InChI InChI=1S/C19H26O5/c1-22-17(20)13-16-18(19(21)23-2)14-11-9-7-5-3-4-6-8-10-12-15(14)24-16/h9,11H,3-8,10,12-13H2,1-2H3/b11-9-
InChIKey CNOHVIQBWNQPTQ-LUAWRHEFSA-N
Mol Weight 334.41 g/mol
Molecular Formula C19H26O5
Exact Mass 334.178024 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BkA4RpK6auN
Name Cyclododeca[b]furan-2-acetic acid, 6,7,8,9,10,11,12,13-octahydro-3-(methoxycarbonyl)-, methyl ester, (E)-
Alternate Name(s) Adduct of cyclododecane-1,2-dione and dimethyl .beta.-ketoglutarate Methyl (E)-6,7,8,9,10,11,12,13-octahydro-3-(methoxycarbonyl)cyclododeca(b)furan-2-acetate Methyl 2-(2-methoxy-2-oxoethyl)-6,7,8,9,10,11,12,13-octahydrocyclododeca[b]furan-3-carboxylate
CAS Registry Number 65383-96-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H26O5
InChI InChI=1S/C19H26O5/c1-22-17(20)13-16-18(19(21)23-2)14-11-9-7-5-3-4-6-8-10-12-15(14)24-16/h9,11H,3-8,10,12-13H2,1-2H3/b11-9-
InChIKey CNOHVIQBWNQPTQ-LUAWRHEFSA-N
Molecular Weight 334.412 g/mol
SMILES c1(c(oc2c1\C=C/CCCCCCCC2)CC(=O)OC)C(=O)OC
SPLASH splash10-003u-0793000000-5e4e98e4129725af730e
Source of Spectrum Y-14-713-0
Wiley ID 1330966