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4-(4-(pentadec-3-yn-6-yloxy)phenyl)butan-2-one
SpectraBase Compound ID BGS5JI8EAbi
InChI InChI=1S/C25H38O2/c1-4-6-8-9-10-11-13-15-24(14-12-7-5-2)27-25-20-18-23(19-21-25)17-16-22(3)26/h18-21,24H,4-6,8-11,13-17H2,1-3H3
InChIKey VWHRQMWSKSSXQZ-UHFFFAOYSA-N
Mol Weight 370.6 g/mol
Molecular Formula C25H38O2
Exact Mass 370.28718 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ln58tPG1JyK
Name 4-(4-(pentadec-3-yn-6-yloxy)phenyl)butan-2-one
Appearance Colorless oil
Carrier Gas Helium
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Exact Mass 370.287180462 u
Formula C25H38O2
GC Oven Program Oven temp 250oC
InChI InChI=1S/C25H38O2/c1-4-6-8-9-10-11-13-15-24(14-12-7-5-2)27-25-20-18-23(19-21-25)17-16-22(3)26/h18-21,24H,4-6,8-11,13-17H2,1-3H3
InChIKey VWHRQMWSKSSXQZ-UHFFFAOYSA-N
Inlet Type Splitless
Instrument Name GCMS
Ionization Type EI
Molecular Weight 370.577 g/mol
Quality 109
SMILES CCC#CCC(CCCCCCCCC)OC1=CC=C(C=C1)CCC(C)=O
SPLASH splash10-08fr-1900000000-5a4568c13ae71265e85f
Source of Spectrum WO2023067040A1
Wiley ID 1897193