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Octane-1,8-diyl bis(4-phenylbutanoate)
SpectraBase Compound ID J4ptfn6QueD
InChI InChI=1S/C28H38O4/c29-27(21-13-19-25-15-7-5-8-16-25)31-23-11-3-1-2-4-12-24-32-28(30)22-14-20-26-17-9-6-10-18-26/h5-10,15-18H,1-4,11-14,19-24H2
InChIKey PHRTWQUKFPCXMK-UHFFFAOYSA-N
Mol Weight 438.6 g/mol
Molecular Formula C28H38O4
Exact Mass 438.27701 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7GRmsbKlafG
Name Octane-1,8-diyl bis(4-phenylbutanoate)
Appearance Colorless oil
Carrier Gas Argon
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.277009700 u
Formula C28H38O4
GC Column HP-5 (30 m x 0.32 mm, film thickness 0.25 micrometer)
InChI InChI=1S/C28H38O4/c29-27(21-13-19-25-15-7-5-8-16-25)31-23-11-3-1-2-4-12-24-32-28(30)22-14-20-26-17-9-6-10-18-26/h5-10,15-18H,1-4,11-14,19-24H2
InChIKey PHRTWQUKFPCXMK-UHFFFAOYSA-N
Instrument Name Agilent HP-7890A-AMD 402
Ionization Type EI
Literature Reference DOI 10.1002/anie.202211939
Molecular Weight 438.608 g/mol
Quality 135
Reported Formula C28H38O4
SMILES C(OCCCCCCCCOC(CCCC1=CC=CC=C1)=O)(=O)CCCC1=CC=CC=C1
SPLASH splash10-0005-5900000000-5bfd87a902ad0ee339c3
Source of Spectrum ACI-61-SM46-60 (DOI: 10.1002/anie.202211939)
Wiley ID 1899575