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Phenylethyl behenate
SpectraBase Compound ID 1UfQ3WOAsdj
InChI InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3
InChIKey OCCJNJQOJXFKQO-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C30H52O2
Exact Mass 444.396731 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KRxeeF04Je3
Name Phenylethyl behenate
Carrier Gas Helium
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Formula C30H52O2
GC Oven Program Oven temp 290oC, split/splitless injector
InChI InChI=1S/C30H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-30(31)32-28-27-29-24-21-20-22-25-29/h20-22,24-25H,2-19,23,26-28H2,1H3
InChIKey OCCJNJQOJXFKQO-UHFFFAOYSA-N
Instrument Name Agilent GC 7890A-inert MSD 5975C
Ionization Type EI
Literature Reference DOI 10.1002/ffj.3692
Molecular Weight 444.744 g/mol
SMILES c1cc(ccc1)CCOC(CCCCCCCCCCCCCCCCCCCCC)=O
SPLASH splash10-0udi-1900000000-d1ddd178fc3a993a67fb
Source of Spectrum FF-37-SM7-Phenylethyl behenate
Wiley ID 1876261