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4,4'-((octadec-9-ene-7,12-diylbis(oxy))bis(4,1-phenylene))bis(butan-2-one)
SpectraBase Compound ID 5Qx1MuEQIfl
InChI InChI=1S/C38H56O4/c1-5-7-9-11-15-35(41-37-27-23-33(24-28-37)21-19-31(3)39)17-13-14-18-36(16-12-10-8-6-2)42-38-29-25-34(26-30-38)22-20-32(4)40/h13-14,23-30,35-36H,5-12,15-22H2,1-4H3
InChIKey XNYCEIOONSXGES-UHFFFAOYSA-N
Mol Weight 576.9 g/mol
Molecular Formula C38H56O4
Exact Mass 576.41786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HcY4U8LCVuI
Name 4,4'-((octadec-9-ene-7,12-diylbis(oxy))bis(4,1-phenylene))bis(butan-2-one)
Appearance Colorless liquid
Carrier Gas Helium
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 576.417860279 u
Formula C38H56O4
GC Oven Program Oven temp 250oC
InChI InChI=1S/C38H56O4/c1-5-7-9-11-15-35(41-37-27-23-33(24-28-37)21-19-31(3)39)17-13-14-18-36(16-12-10-8-6-2)42-38-29-25-34(26-30-38)22-20-32(4)40/h13-14,23-30,35-36H,5-12,15-22H2,1-4H3
InChIKey XNYCEIOONSXGES-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 576.862 g/mol
Quality 94
SMILES CCCCCCC(CC=CCC(CCCCCC)OC=1C=CC(=CC1)CCC(C)=O)OC=1C=CC(=CC1)CCC(C)=O
SPLASH splash10-0a4i-8951000000-94fb20cefb7660b4aa87
Source of Spectrum WO2023067040A1
Wiley ID 1897157