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1,8-bis(Benzyloxy)bicyclo[6.6.3]heptadeca-4,11-diene-2,6,9,13-tetrayne
SpectraBase Compound ID 9C2WFlEiSuK
InChI InChI=1S/C31H24O2/c1-2-12-21-31(33-27-29-18-9-6-10-19-29)23-14-4-3-13-22-30(20-11-1,24-15-25-31)32-26-28-16-7-5-8-17-28/h1-10,16-19H,15,24-27H2/b2-1-,4-3-
InChIKey SURUZPGVDQWLHD-LOKDLIDFSA-N
Mol Weight 428.53 g/mol
Molecular Formula C31H24O2
Exact Mass 428.17763 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FlNdnzJlZjH
Name 1,8-bis(Benzyloxy)bicyclo[6.6.3]heptadeca-4,11-diene-2,6,9,13-tetrayne
Comments Less than 3 mono-isotopic peaks
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Formula C31H24O2
InChI InChI=1S/C31H24O2/c1-2-12-21-31(33-27-29-18-9-6-10-19-29)23-14-4-3-13-22-30(20-11-1,24-15-25-31)32-26-28-16-7-5-8-17-28/h1-10,16-19H,15,24-27H2/b2-1-,4-3-
InChIKey SURUZPGVDQWLHD-LOKDLIDFSA-N
Molecular Weight 428.531 g/mol
SMILES C12(C#C\C=C/C#CC(CCC2)(C#C\C=C/C#C1)OCc1ccccc1)OCc1ccccc1
SPLASH splash10-0006-9000000000-83940171597479e5ed4f
Source of Spectrum Y2-25-915-14
Wiley ID 1547168