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4-(4-(tridec-1-en-4-yloxy)phenyl)butan-2-one
SpectraBase Compound ID 9gRft8pSCFW
InChI InChI=1S/C23H36O2/c1-4-6-7-8-9-10-11-13-22(12-5-2)25-23-18-16-21(17-19-23)15-14-20(3)24/h5,16-19,22H,2,4,6-15H2,1,3H3
InChIKey XMVUVIRSDOIQHF-UHFFFAOYSA-N
Mol Weight 344.5 g/mol
Molecular Formula C23H36O2
Exact Mass 344.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LXsMqagY7rm
Name 4-(4-(tridec-1-en-4-yloxy)phenyl)butan-2-one
Appearance Colorless oil
Carrier Gas Helium
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Exact Mass 344.271530397 u
Formula C23H36O2
GC Oven Program Oven temp 250oC
InChI InChI=1S/C23H36O2/c1-4-6-7-8-9-10-11-13-22(12-5-2)25-23-18-16-21(17-19-23)15-14-20(3)24/h5,16-19,22H,2,4,6-15H2,1,3H3
InChIKey XMVUVIRSDOIQHF-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 344.539 g/mol
Quality 182
SMILES C=CCC(CCCCCCCCC)OC1=CC=C(C=C1)CCC(C)=O
SPLASH splash10-0btc-4900000000-dbf1568efd26fa03ad36
Source of Spectrum WO2023067040A1
Wiley ID 1897191