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2-Methyl-2'-(2-methylallyl)-3-phenethyl-[1,1'-bi(cyclobutane)]-1,1'-diene
SpectraBase Compound ID EyG5XaACpXd
InChI InChI=1S/C21H26/c1-15(2)13-19-11-12-20(19)21-14-18(16(21)3)10-9-17-7-5-4-6-8-17/h4-8,18H,1,9-14H2,2-3H3
InChIKey QWVHTBHTNUQMAH-UHFFFAOYSA-N
Mol Weight 278.44 g/mol
Molecular Formula C21H26
Exact Mass 278.203451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 75YY9K7in7x
Name 2-Methyl-2'-(2-methylallyl)-3-phenethyl-[1,1'-bi(cyclobutane)]-1,1'-diene
Appearance Colorless oil
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Exact Mass 278.203450837 u
Formula C21H26
InChI InChI=1S/C21H26/c1-15(2)13-19-11-12-20(19)21-14-18(16(21)3)10-9-17-7-5-4-6-8-17/h4-8,18H,1,9-14H2,2-3H3
InChIKey QWVHTBHTNUQMAH-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95Q or Finnigan MAT 90 or JEOL JMS-700
Ionization Type EI
Literature Reference DOI 10.1002/chem.201604585
Molecular Weight 278.439 g/mol
Quality 218
Reported Formula C21H26
SMILES C1(=C(C(C1)CCC1=CC=CC=C1)C)C=1CCC1CC(C)=C
SPLASH splash10-0076-5900000000-821eb33c3681bf0e1582
Source of Spectrum QE-23-SM49-24 (DOI: 10.1002/chem.201604585)
Thin-Layer Chromatography 0.51 (hexane, UV, KMnO4)
Wiley ID 1903908