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(rac)-2-phenyl-3-butyn-2-yl decanoate
SpectraBase Compound ID BLLyTgdtaM3
InChI InChI=1S/C20H28O2/c1-4-6-7-8-9-10-14-17-19(21)22-20(3,5-2)18-15-12-11-13-16-18/h2,11-13,15-16H,4,6-10,14,17H2,1,3H3
InChIKey IIKNXTIBUSMEFW-UHFFFAOYSA-N
Mol Weight 300.44 g/mol
Molecular Formula C20H28O2
Exact Mass 300.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5bfoCMr3duh
Name (rac)-2-phenyl-3-butyn-2-yl decanoate
Appearance Pale-yellow oil
Carrier Gas Helium (1.22 mL/min)
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Exact Mass 300.208930140 u
Formula C20H28O2
GC Column HP-5MS or RTX-5MS (30 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 260oC
InChI InChI=1S/C20H28O2/c1-4-6-7-8-9-10-14-17-19(21)22-20(3,5-2)18-15-12-11-13-16-18/h2,11-13,15-16H,4,6-10,14,17H2,1,3H3
InChIKey IIKNXTIBUSMEFW-UHFFFAOYSA-N
Instrument Name Agilent 7890B-5977A or Shimadzu GCMS-QP2020
Ionization Type EI
Literature Reference DOI 10.1016/j.rechem.2023.100966
Quality 831
SMILES C1=CC(=CC=C1)C(C#C)(C)OC(CCCCCCCCC)=O
SPLASH splash10-004j-4900000000-b73cdad367d90fa6679f
Source of Spectrum REC-5-SM6-rac-2c (DOI: 10.1016/j.rechem.2023.100966)
Wiley ID 1911863