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1,4-bis(2',5'-Dipropoxystyryl)-2,5-dipropoxybenzene
SpectraBase Compound ID 77Yjhc6fNQA
InChI InChI=1S/C40H54O6/c1-7-21-41-35-17-19-37(43-23-9-3)31(27-35)13-15-33-29-40(46-26-12-6)34(30-39(33)45-25-11-5)16-14-32-28-36(42-22-8-2)18-20-38(32)44-24-10-4/h13-20,27-30H,7-12,21-26H2,1-6H3/b15-13+,16-14+
InChIKey HISTXRNPGHAEQK-WXUKJITCSA-N
Mol Weight 630.9 g/mol
Molecular Formula C40H54O6
Exact Mass 630.392039 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPWz1gGOBUf
Name 1,4-bis(2',5'-Dipropoxystyryl)-2,5-dipropoxybenzene
Alternate Name(s) 1,4-bis[(E)-2-(2,5-dipropoxyphenyl)ethenyl]-2,5-dipropoxybenzene
Comments Less than 3 mono-isotopic peaks
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Formula C40H54O6
InChI InChI=1S/C40H54O6/c1-7-21-41-35-17-19-37(43-23-9-3)31(27-35)13-15-33-29-40(46-26-12-6)34(30-39(33)45-25-11-5)16-14-32-28-36(42-22-8-2)18-20-38(32)44-24-10-4/h13-20,27-30H,7-12,21-26H2,1-6H3/b15-13+,16-14+
InChIKey HISTXRNPGHAEQK-WXUKJITCSA-N
Molecular Weight 630.866 g/mol
SMILES c1(\C=C\c2c(cc(\C=C\c3c(ccc(c3)OCCC)OCCC)c(c2)OCCC)OCCC)c(ccc(c1)OCCC)OCCC
SPLASH splash10-001i-0000009000-7b8dce6695b659fdd70a
Source of Spectrum U-1996-1455-1
Wiley ID 768954