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3-(9-oxabicyclo[6.1.0]nonan-8-yl)-1-phenyl-1-octyn-3-ol
SpectraBase Compound ID 4JWEII16Glz
InChI InChI=1S/C22H30O2/c1-2-3-10-16-21(23,18-15-19-12-7-6-8-13-19)22-17-11-5-4-9-14-20(22)24-22/h6-8,12-13,20,23H,2-5,9-11,14,16-17H2,1H3
InChIKey GBAGFGDJMKSMMQ-UHFFFAOYSA-N
Mol Weight 326.48 g/mol
Molecular Formula C22H30O2
Exact Mass 326.22458 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HCZXKqStdde
Name 3-(9-oxabicyclo[6.1.0]nonan-8-yl)-1-phenyl-1-octyn-3-ol
Comments Less than 3 mono-isotopic peaks
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Formula C22H30O2
InChI InChI=1S/C22H30O2/c1-2-3-10-16-21(23,18-15-19-12-7-6-8-13-19)22-17-11-5-4-9-14-20(22)24-22/h6-8,12-13,20,23H,2-5,9-11,14,16-17H2,1H3
InChIKey GBAGFGDJMKSMMQ-UHFFFAOYSA-N
Molecular Weight 326.480 g/mol
SMILES OC(C#Cc1ccccc1)(C12OC2CCCCCC1)CCCCC
SPLASH splash10-0ufr-0094000000-92239117f687d7bc3b0a
Source of Spectrum J-63-9228-3
Synonyms 3-(9-oxabicyclo[6.1.0]nonan-8-yl)-1-phenyl-oct-1-yn-3-ol
Wiley ID 1325236