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Hexanedioic acid, 2,5-diethylidene-, dimethyl ester, (E,E)-
SpectraBase Compound ID O5ALrAON2W
InChI InChI=1S/C12H18O4/c1-5-9(11(13)15-3)7-8-10(6-2)12(14)16-4/h5-6H,7-8H2,1-4H3/b9-5+,10-6+
InChIKey NDOVDBPGLOLZGR-NXZHAISVSA-N
Mol Weight 226.27 g/mol
Molecular Formula C12H18O4
Exact Mass 226.120509 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9b8vobCRlLr
Name Hexanedioic acid, 2,5-diethylidene-, dimethyl ester, (E,E)-
CAS Registry Number 106060-31-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H18O4
InChI InChI=1S/C12H18O4/c1-5-9(11(13)15-3)7-8-10(6-2)12(14)16-4/h5-6H,7-8H2,1-4H3/b9-5+,10-6+
InChIKey NDOVDBPGLOLZGR-NXZHAISVSA-N
Molecular Weight 226.272 g/mol
SMILES C(\C(CC\C(C(=O)OC)=C/C)=C\C)(=O)OC
SPLASH splash10-052k-1900000000-d19c76dd37ac85e8fa5c
Source of Spectrum KC-1985-2716-10
Synonyms Dimethyl (2E,5E)-2,5-diethylidenehexanedioate Dimethyl octa-2,6-diene-3,6-dicarboxylate
Wiley ID 1227321