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12-(tert-Butyl)-3-(1-ethynyl)-14,15-didehydro-7,8-dihydro-6H-dibenzo[f,j][1,5]dioxacycloundecin-2-ol
SpectraBase Compound ID C5jniuH5cOF
InChI InChI=1S/C23H22O3/c1-5-16-15-22-18(14-20(16)24)8-7-17-13-19(23(2,3)4)9-10-21(17)25-11-6-12-26-22/h1,9-10,13-15,24H,6,11-12H2,2-4H3
InChIKey URXFLZHZVFFWEJ-UHFFFAOYSA-N
Mol Weight 346.43 g/mol
Molecular Formula C23H22O3
Exact Mass 346.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IYZFb2rTiwH
Name 12-(tert-Butyl)-3-(1-ethynyl)-14,15-didehydro-7,8-dihydro-6H-dibenzo[f,j][1,5]dioxacycloundecin-2-ol
Alternate Name(s) 12-tert-butyl-3-ethynyl-14,15-didehydro-7,8-dihydro-6H-dibenzo[f,j][1,5]dioxacycloundecin-2-ol
Comments Less than 3 mono-isotopic peaks
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Formula C23H22O3
InChI InChI=1S/C23H22O3/c1-5-16-15-22-18(14-20(16)24)8-7-17-13-19(23(2,3)4)9-10-21(17)25-11-6-12-26-22/h1,9-10,13-15,24H,6,11-12H2,2-4H3
InChIKey URXFLZHZVFFWEJ-UHFFFAOYSA-N
Molecular Weight 346.426 g/mol
SMILES Oc1c(C#C)cc2c(C#Cc3cc(C(C)(C)C)ccc3OCCCO2)c1
SPLASH splash10-001i-9003000000-e250d2b7e4744ab6a225
Source of Spectrum F-53-11907-14
Wiley ID 803632