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3-hexyl-2-(prop-1-en-2-yl)naphthalen-1-yl acetate
SpectraBase Compound ID DmpTKIH4EW8
InChI InChI=1S/C21H26O2/c1-5-6-7-8-12-18-14-17-11-9-10-13-19(17)21(23-16(4)22)20(18)15(2)3/h9-11,13-14H,2,5-8,12H2,1,3-4H3
InChIKey NIHQKJPFZYVJKM-UHFFFAOYSA-N
Mol Weight 310.44 g/mol
Molecular Formula C21H26O2
Exact Mass 310.19328 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6iH0LquOwPH
Name 3-hexyl-2-(prop-1-en-2-yl)naphthalen-1-yl acetate
Appearance Yellow oil
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Exact Mass 310.193280075 u
Formula C21H26O2
InChI InChI=1S/C21H26O2/c1-5-6-7-8-12-18-14-17-11-9-10-13-19(17)21(23-16(4)22)20(18)15(2)3/h9-11,13-14H,2,5-8,12H2,1,3-4H3
InChIKey NIHQKJPFZYVJKM-UHFFFAOYSA-N
Instrument Name JEOL JMD-700
Ionization Type EI positive ion
Literature Reference DOI 10.1002/chem.201501725
Reported Formula C21H26O2
SMILES C(CCCCC)C=1C(=C(C2=C(C1)C=CC=C2)OC(C)=O)C(=C)C
SPLASH splash10-014i-0391000000-d3283f4fae8834077791
Source of Spectrum QE-21-SM78-5z (DOI: 10.1002/chem.201501725)
Thin-Layer Chromatography 0.60 (PE/EA, 5:1)
Wiley ID 1907120