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4,13-bis((S)-1'-Hydroxy-3'-phenyl-2'-propyn-1'-yl)-[2.2]paracyclophane

View entire compound with spectra: 1 MS (GC)

4,13-bis((S)-1'-Hydroxy-3'-phenyl-2'-propyn-1'-yl)-[2.2]paracyclophane
SpectraBase Compound ID IZzGeLnyEbq
InChI InChI=1S/C34H28O2/c35-33(21-15-25-7-3-1-4-8-25)31-23-27-11-12-28-14-18-30(20-19-29(31)17-13-27)32(24-28)34(36)22-16-26-9-5-2-6-10-26/h1-10,13-14,17-18,23-24,33-36H,11-12,19-20H2/t33-,34-/m1/s1
InChIKey PXRJTCSLNLNWKR-KKLWWLSJSA-N
Mol Weight 468.6 g/mol
Molecular Formula C34H28O2
Exact Mass 468.20893 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IQQzv55J97w
Name 4,13-bis((S)-1'-Hydroxy-3'-phenyl-2'-propyn-1'-yl)-[2.2]paracyclophane
Alternate Name(s) (1R)-1-[12-[(1R)-1-hydroxy-3-phenyl-2-propynyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-3-phenyl-2-propyn-1-ol 4,13-bis(1'-Hydroxy-3'-phenyl-2'-propyn-1'-yl)-[2.2]paracyclophane
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Formula C34H28O2
InChI InChI=1S/C34H28O2/c35-33(21-15-25-7-3-1-4-8-25)31-23-27-11-12-28-14-18-30(20-19-29(31)17-13-27)32(24-28)34(36)22-16-26-9-5-2-6-10-26/h1-10,13-14,17-18,23-24,33-36H,11-12,19-20H2/t33-,34-/m1/s1
InChIKey PXRJTCSLNLNWKR-KKLWWLSJSA-N
Molecular Weight 468.596 g/mol
SMILES O[C@@](c1c2CCc3c([C@@](C#Cc4ccccc4)(O)[H])cc(CCc(c1)cc2)cc3)(C#Cc1ccccc1)[H]
SPLASH splash10-0gb9-0191100000-8a858a3dcf28a9ed7885
Source of Spectrum H-2005-3268-1
Wiley ID 1563120