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Bis(2-ethylhexyl) 7-ethylideneoct-3-enedioate
SpectraBase Compound ID Dn3MMYKCeSZ
InChI InChI=1S/C26H46O4/c1-6-11-16-22(8-3)20-29-25(27)19-15-13-14-18-24(10-5)26(28)30-21-23(9-4)17-12-7-2/h10,13,15,22-23H,6-9,11-12,14,16-21H2,1-5H3/b15-13?,24-10+
InChIKey UXIYKNUVOZCTIW-GLGQZHPNSA-N
Mol Weight 422.7 g/mol
Molecular Formula C26H46O4
Exact Mass 422.33961 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXBTnyVNoal
Name Bis(2-ethylhexyl) 7-ethylideneoct-3-enedioate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H46O4
InChI InChI=1S/C26H46O4/c1-6-11-16-22(8-3)20-29-25(27)19-15-13-14-18-24(10-5)26(28)30-21-23(9-4)17-12-7-2/h10,13,15,22-23H,6-9,11-12,14,16-21H2,1-5H3/b15-13?,24-10+
InChIKey UXIYKNUVOZCTIW-GLGQZHPNSA-N
Instrument Name Agilent 6890-5973 GCMS
Ionization Type EI
Molecular Weight 422.650 g/mol
Reported Formula C26H46O4
SMILES C(OCC(CCCC)CC)(=O)\C(CCC=CCC(OCC(CCCC)CC)=O)=C\C
SPLASH splash10-08gi-7900000000-6c34be5009b62ec0f786
Sample Comments Mixture of E/Z
Source of Spectrum US20180265449A1
Wiley ID 1870651