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

View entire compound with spectra: 1 MS (GC)

4,13-bis(1'(S)-Hydroxy-2'-hexyn-1'-yl)-[2.2]paracyclophane
SpectraBase Compound ID EZObhaRt8h6
InChI InChI=1S/C30H36O2/c1-3-5-7-9-11-29(31)27-21-23-13-14-24-16-18-26(20-19-25(27)17-15-23)28(22-24)30(32)12-10-8-6-4-2/h15-18,21-22,29-32H,3-8,13-14,19-20H2,1-2H3/t29-,30-/m1/s1
InChIKey ZRHDFBYDBZXDJV-LOYHVIPDSA-N
Mol Weight 428.6 g/mol
Molecular Formula C30H36O2
Exact Mass 428.27153 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5n9mfTwax4A
Name 4,13-bis(1'(S)-Hydroxy-2'-hexyn-1'-yl)-[2.2]paracyclophane
Alternate Name(s) (1R)-1-[12-[(1R)-1-hydroxy-2-heptynyl]tricyclo[8.2.2.2(4,7)]hexadeca-1(12),4,6,10,13,15-hexaen-5-yl]-2-heptyn-1-ol 4,13-bis(1'-Hydroxy-2'-hexyn-1'-yl)-[2.2]paracyclophane
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Formula C30H36O2
InChI InChI=1S/C30H36O2/c1-3-5-7-9-11-29(31)27-21-23-13-14-24-16-18-26(20-19-25(27)17-15-23)28(22-24)30(32)12-10-8-6-4-2/h15-18,21-22,29-32H,3-8,13-14,19-20H2,1-2H3/t29-,30-/m1/s1
InChIKey ZRHDFBYDBZXDJV-LOYHVIPDSA-N
Molecular Weight 428.616 g/mol
SMILES O[C@@](c1c2CCc3c([C@@](C#CCCCC)(O)[H])cc(CCc(c1)cc2)cc3)(C#CCCCC)[H]
SPLASH splash10-052b-0900100000-1e4597efbf7321c8378b
Source of Spectrum H-2005-3268-1
Wiley ID 1563121