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25-(4'-[2.2.2]Paracyclophanyl)propargyl alcohol

View entire compound with spectra: 1 MS (GC)

25-(4'-[2.2.2]Paracyclophanyl)propargyl alcohol
SpectraBase Compound ID CdHjnVBAGRi
InChI InChI=1S/C27H26O/c28-19-1-2-27-20-25-14-13-23-7-5-21(6-8-23)3-4-22-9-11-24(12-10-22)15-17-26(27)18-16-25/h5-12,16,18,20,28H,3-4,13-15,17,19H2
InChIKey GOUCZKOLBGEBOS-UHFFFAOYSA-N
Mol Weight 366.5 g/mol
Molecular Formula C27H26O
Exact Mass 366.198365 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GasHYrQz9gS
Name 25-(4'-[2.2.2]Paracyclophanyl)propargyl alcohol
Comments Less than 3 mono-isotopic peaks
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Formula C27H26O
InChI InChI=1S/C27H26O/c28-19-1-2-27-20-25-14-13-23-7-5-21(6-8-23)3-4-22-9-11-24(12-10-22)15-17-26(27)18-16-25/h5-12,16,18,20,28H,3-4,13-15,17,19H2
InChIKey GOUCZKOLBGEBOS-UHFFFAOYSA-N
Molecular Weight 366.504 g/mol
SMILES OCC#Cc1c2CCc3ccc(cc3)CCc3ccc(CCc(c1)cc2)cc3
SPLASH splash10-0udi-0903000000-1002a7ac9636f81c0ab6
Source of Spectrum U-1995-1526-13
Wiley ID 767305